4-(3,5-dimethylphenyl)-N-(2-methoxyquinolin-3-yl)-1-(phenylmethyl)piperazin-1-ium-1-carboxamide

Systemtic Name: 4-(3,5-dimethylphenyl)-N-(2-methoxyquinolin-3-yl)-1-(phenylmethyl)piperazin-1-ium-1-carboxamide Openeye Name: 1-benzyl-4-(3,5-dimethylphenyl)-N-(2-methoxy-3-quinolyl)piperazin-1-ium-1-carboxamide CAS Name: 4-(3,5-dimethylphenyl)-N-(2-methoxy-3-quinolinyl)-1-(phenylmethyl)-1-piperazin-1-iumcarboxamide IUPAC Name: 1-benzyl-4-(3,5-dimethylphenyl)-N-(2-methoxyquinolin-3-yl)piperazin-1-ium-1-carboxamide Traditional Name: 1-benzyl-4-(3,5-dimethylphenyl)-N-(2-methoxy-3-quinolyl)piperazin-1-ium-1-carboxamide Formula: C30H33N4O2+ MolecularWeight: 481.60862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2CC[N+](CC2)(CC3=CC=CC=C3)C(=O)NC4=CC5=CC=CC=C5N=C4OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2CC[N+](CC2)(CC3=CC=CC=C3)C(=O)NC4=CC5=CC=CC=C5N=C4OC)C

InChI

InChI=1S/C30H32N4O2/c1-22-17-23(2)19-26(18-22)33-13-15-34(16-14-33,21-24-9-5-4-6-10-24)30(35)32-28-20-25-11-7-8-12-27(25)31-29(28)36-3/h4-12,17-20H,13-16,21H2,1-3H3/p+1