(4-methyl-1,4-diazepan-4-ium-1-yl)-[2-(4-methylphenyl)quinolin-4-yl]methanone

Systemtic Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-[2-(4-methylphenyl)quinolin-4-yl]methanone Openeye Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-[2-(p-tolyl)-4-quinolyl]methanone CAS Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-[2-(4-methylphenyl)-4-quinolinyl]methanone IUPAC Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-[2-(4-methylphenyl)quinolin-4-yl]methanone Traditional Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-[2-(p-tolyl)-4-quinolyl]methanone Formula: C23H26N3O+ MolecularWeight: 360.47204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCC[NH+](CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCC[NH+](CC4)C

InChI

InChI=1S/C23H25N3O/c1-17-8-10-18(11-9-17)22-16-20(19-6-3-4-7-21(19)24-22)23(27)26-13-5-12-25(2)14-15-26/h3-4,6-11,16H,5,12-15H2,1-2H3/p+1