N-[2-[5-azanyl-2,6-bis(chloranyl)-4-imidazol-1-yl-1,2-dimethyl-3-phenylmethoxy-quinolin-1-ium-1-yl]-2-oxidanylidene-ethyl]pyridine-4-carboxamide

Systemtic Name: N-[2-[5-azanyl-2,6-bis(chloranyl)-4-imidazol-1-yl-1,2-dimethyl-3-phenylmethoxy-quinolin-1-ium-1-yl]-2-oxidanylidene-ethyl]pyridine-4-carboxamide Openeye Name: N-[2-(5-amino-3-benzyloxy-2,6-dichloro-4-imidazol-1-yl-1,2-dimethyl-quinolin-1-ium-1-yl)-2-oxo-ethyl]pyridine-4-carboxamide CAS Name: N-[2-[5-amino-2,6-dichloro-4-(1-imidazolyl)-1,2-dimethyl-3-phenylmethoxy-1-quinolin-1-iumyl]-2-oxoethyl]-4-pyridinecarboxamide IUPAC Name: N-[2-(5-amino-2,6-dichloro-4-imidazol-1-yl-1,2-dimethyl-3-phenylmethoxyquinolin-1-ium-1-yl)-2-oxoethyl]pyridine-4-carboxamide Traditional Name: N-[2-(5-amino-3-benzoxy-2,6-dichloro-4-imidazol-1-yl-1,2-dimethyl-quinolin-1-ium-1-yl)-2-keto-ethyl]isonicotinamide Formula: C29H27Cl2N6O3+ MolecularWeight: 578.46908

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C(C2=C([N+]1(C)C(=O)CNC(=O)C3=CC=NC=C3)C=CC(=C2N)Cl)N4C=CN=C4)OCC5=CC=CC=C5)Cl

Isomeric SMILES

CC1(C(=C(C2=C([N+]1(C)C(=O)CNC(=O)C3=CC=NC=C3)C=CC(=C2N)Cl)N4C=CN=C4)OCC5=CC=CC=C5)Cl

InChI

InChI=1S/C29H26Cl2N6O3/c1-29(31)27(40-17-19-6-4-3-5-7-19)26(36-15-14-34-18-36)24-22(9-8-21(30)25(24)32)37(29,2)23(38)16-35-28(39)20-10-12-33-13-11-20/h3-15,18H,16-17,32H2,1-2H3/p+1