N-(4-chloranyl-3-methyl-phenyl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]benzamide

Systemtic Name: N-(4-chloranyl-3-methyl-phenyl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]benzamide Openeye Name: N-(4-chloro-3-methyl-phenyl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]benzamide CAS Name: N-(4-chloro-3-methylphenyl)-4-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]benzamide IUPAC Name: N-(4-chloro-3-methylphenyl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]benzamide Traditional Name: N-(4-chloro-3-methyl-phenyl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]benzamide Formula: C24H27ClN4O+2 MolecularWeight: 422.95038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)Cl

InChI

InChI=1S/C24H25ClN4O/c1-18-16-21(9-10-22(18)25)27-24(30)20-7-5-19(6-8-20)17-28-12-14-29(15-13-28)23-4-2-3-11-26-23/h2-11,16H,12-15,17H2,1H3,(H,27,30)/p+2