N-[2-methyl-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-phenyl]benzamide

Systemtic Name: N-[2-methyl-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-phenyl]benzamide Openeye Name: N-[5-(4-benzylpiperazin-4-ium-1-carbonyl)-2-methyl-phenyl]benzamide CAS Name: N-[2-methyl-5-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]benzamide IUPAC Name: N-[5-(4-benzylpiperazin-4-ium-1-carbonyl)-2-methylphenyl]benzamide Traditional Name: N-[5-(4-benzylpiperazin-4-ium-1-carbonyl)-2-methyl-phenyl]benzamide Formula: C26H28N3O2+ MolecularWeight: 414.51942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H27N3O2/c1-20-12-13-23(18-24(20)27-25(30)22-10-6-3-7-11-22)26(31)29-16-14-28(15-17-29)19-21-8-4-2-5-9-21/h2-13,18H,14-17,19H2,1H3,(H,27,30)/p+1