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

Systemtic Name: N-[(2-methylphenyl)methyl]-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide Openeye Name: N-(o-tolylmethyl)-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide CAS Name: N-[(2-methylphenyl)methyl]-4-[(4-phenyl-1-piperazin-1-iumyl)methyl]benzamide IUPAC Name: N-[(2-methylphenyl)methyl]-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide Traditional Name: N-(2-methylbenzyl)-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide Formula: C26H30N3O+ MolecularWeight: 400.5359

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)C2=CC=C(C=C2)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)C2=CC=C(C=C2)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C26H29N3O/c1-21-7-5-6-8-24(21)19-27-26(30)23-13-11-22(12-14-23)20-28-15-17-29(18-16-28)25-9-3-2-4-10-25/h2-14H,15-20H2,1H3,(H,27,30)/p+1