4-[(E)-3-[[2-chloranyl-3-[4-[(4-imidazol-1-yl-2-methyl-quinolin-8-yl)oxymethyl]phenyl]-1H-pyrrol-1-ium-1-yl]methylamino]-3-oxidanylidene-prop-1-enyl]-N-methyl-benzamide chloride

Systemtic Name: 4-[(E)-3-[[2-chloranyl-3-[4-[(4-imidazol-1-yl-2-methyl-quinolin-8-yl)oxymethyl]phenyl]-1H-pyrrol-1-ium-1-yl]methylamino]-3-oxidanylidene-prop-1-enyl]-N-methyl-benzamide chloride Openeye Name: 4-[(E)-3-[[2-chloro-3-[4-[(4-imidazol-1-yl-2-methyl-8-quinolyl)oxymethyl]phenyl]-1H-pyrrol-1-ium-1-yl]methylamino]-3-oxo-prop-1-enyl]-N-methyl-benzamide chloride CAS Name: 4-[(E)-3-[[2-chloro-3-[4-[[4-(1-imidazolyl)-2-methyl-8-quinolinyl]oxymethyl]phenyl]-1H-pyrrol-1-ium-1-yl]methylamino]-3-oxoprop-1-enyl]-N-methylbenzamide chloride IUPAC Name: 4-[(E)-3-[[2-chloro-3-[4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]phenyl]-1H-pyrrol-1-ium-1-yl]methylamino]-3-oxoprop-1-enyl]-N-methylbenzamide chloride Traditional Name: 4-[(E)-3-[[2-chloro-3-[4-[(4-imidazol-1-yl-2-methyl-8-quinolyl)oxymethyl]phenyl]-1H-pyrrol-1-ium-1-yl]methylamino]-3-keto-prop-1-enyl]-N-methyl-benzamide chloride Formula: C36H32Cl2N6O3 MolecularWeight: 667.58368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OCC3=CC=C(C=C3)C4=C([NH+](C=C4)CNC(=O)C=CC5=CC=C(C=C5)C(=O)NC)Cl)C(=C1)N6C=CN=C6.[Cl-]

Isomeric SMILES

CC1=NC2=C(C=CC=C2OCC3=CC=C(C=C3)C4=C([NH+](C=C4)CNC(=O)/C=C/C5=CC=C(C=C5)C(=O)NC)Cl)C(=C1)N6C=CN=C6.[Cl-]

InChI

InChI=1S/C36H31ClN6O3.ClH/c1-24-20-31(42-19-17-39-22-42)30-4-3-5-32(34(30)41-24)46-21-26-8-11-27(12-9-26)29-16-18-43(35(29)37)23-40-33(44)15-10-25-6-13-28(14-7-25)36(45)38-2;/h3-20,22H,21,23H2,1-2H3,(H,38,45)(H,40,44);1H/b15-10+;