(3-chloranyl-4-methyl-quinolin-2-yl)methyl-methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium

Systemtic Name: (3-chloranyl-4-methyl-quinolin-2-yl)methyl-methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: (3-chloro-4-methyl-2-quinolyl)methyl-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: (3-chloro-4-methyl-2-quinolinyl)methyl-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: (3-chloro-4-methylquinolin-2-yl)methyl-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: (3-chloro-4-methyl-2-quinolyl)methyl-[(4-keto-1H-quinazolin-2-yl)methyl]-methyl-ammonium Formula: C21H20ClN4O+ MolecularWeight: 379.8627

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)C[NH+](C)CC3=NC(=O)C4=CC=CC=C4N3)Cl

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)C[NH+](C)CC3=NC(=O)C4=CC=CC=C4N3)Cl

InChI

InChI=1S/C21H19ClN4O/c1-13-14-7-3-5-9-16(14)23-18(20(13)22)11-26(2)12-19-24-17-10-6-4-8-15(17)21(27)25-19/h3-10H,11-12H2,1-2H3,(H,24,25,27)/p+1