N-[3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]benzamide

Systemtic Name: N-[3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]benzamide Openeye Name: N-[3-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]benzamide CAS Name: N-[3-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]benzamide IUPAC Name: N-[3-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]benzamide Traditional Name: N-[3-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]benzamide Formula: C25H26N3O2+ MolecularWeight: 400.49284

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H25N3O2/c29-24(21-10-5-2-6-11-21)26-23-13-7-12-22(18-23)25(30)28-16-14-27(15-17-28)19-20-8-3-1-4-9-20/h1-13,18H,14-17,19H2,(H,26,29)/p+1