4-methyl-N-[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

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