N-(4-butyl-2-methyl-phenyl)-4-(2-methylquinolin-1-ium-4-yl)piperazine-1-carboxamide

Systemtic Name: N-(4-butyl-2-methyl-phenyl)-4-(2-methylquinolin-1-ium-4-yl)piperazine-1-carboxamide Openeye Name: N-(4-butyl-2-methyl-phenyl)-4-(2-methylquinolin-1-ium-4-yl)piperazine-1-carboxamide CAS Name: N-(4-butyl-2-methylphenyl)-4-(2-methyl-4-quinolin-1-iumyl)-1-piperazinecarboxamide IUPAC Name: N-(4-butyl-2-methylphenyl)-4-(2-methylquinolin-1-ium-4-yl)piperazine-1-carboxamide Traditional Name: N-(4-butyl-2-methyl-phenyl)-4-(2-methylquinolin-1-ium-4-yl)piperazine-1-carboxamide Formula: C26H33N4O+ MolecularWeight: 417.56642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)NC(=O)N2CCN(CC2)C3=CC(=[NH+]C4=CC=CC=C43)C)C

Isomeric SMILES

CCCCC1=CC(=C(C=C1)NC(=O)N2CCN(CC2)C3=CC(=[NH+]C4=CC=CC=C43)C)C

InChI

InChI=1S/C26H32N4O/c1-4-5-8-21-11-12-23(19(2)17-21)28-26(31)30-15-13-29(14-16-30)25-18-20(3)27-24-10-7-6-9-22(24)25/h6-7,9-12,17-18H,4-5,8,13-16H2,1-3H3,(H,28,31)/p+1