N-[(Z)-3-oxidanylidene-1-phenyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]prop-1-en-2-yl]benzamide

Systemtic Name: N-[(Z)-3-oxidanylidene-1-phenyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]prop-1-en-2-yl]benzamide Openeye Name: N-[(Z)-1-(4-benzylpiperazin-4-ium-1-carbonyl)-2-phenyl-vinyl]benzamide CAS Name: N-[(Z)-3-oxo-1-phenyl-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]prop-1-en-2-yl]benzamide IUPAC Name: N-[(Z)-3-(4-benzylpiperazin-4-ium-1-yl)-3-oxo-1-phenylprop-1-en-2-yl]benzamide Traditional Name: N-[(Z)-1-(4-benzylpiperazin-4-ium-1-carbonyl)-2-phenyl-vinyl]benzamide Formula: C27H28N3O2+ MolecularWeight: 426.53012

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O2/c31-26(24-14-8-3-9-15-24)28-25(20-22-10-4-1-5-11-22)27(32)30-18-16-29(17-19-30)21-23-12-6-2-7-13-23/h1-15,20H,16-19,21H2,(H,28,31)/p+1/b25-20-