N-(4-chloranyl-2-methyl-phenyl)-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide

Systemtic Name: N-(4-chloranyl-2-methyl-phenyl)-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide Openeye Name: N-(4-chloro-2-methyl-phenyl)-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide CAS Name: N-(4-chloro-2-methylphenyl)-4-[(4-phenyl-1-piperazin-1-iumyl)methyl]benzamide IUPAC Name: N-(4-chloro-2-methylphenyl)-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide Traditional Name: N-(4-chloro-2-methyl-phenyl)-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide Formula: C25H27ClN3O+ MolecularWeight: 420.95438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26ClN3O/c1-19-17-22(26)11-12-24(19)27-25(30)21-9-7-20(8-10-21)18-28-13-15-29(16-14-28)23-5-3-2-4-6-23/h2-12,17H,13-16,18H2,1H3,(H,27,30)/p+1