4-cyano-N-[4-[[4-(phenylmethyl)piperazin-4-ium-1-yl]methyl]phenyl]benzamide

Systemtic Name: 4-cyano-N-[4-[[4-(phenylmethyl)piperazin-4-ium-1-yl]methyl]phenyl]benzamide Openeye Name: N-[4-[(4-benzylpiperazin-4-ium-1-yl)methyl]phenyl]-4-cyano-benzamide CAS Name: 4-cyano-N-[4-[[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]benzamide IUPAC Name: N-[4-[(4-benzylpiperazin-4-ium-1-yl)methyl]phenyl]-4-cyanobenzamide Traditional Name: N-[4-[(4-benzylpiperazin-4-ium-1-yl)methyl]phenyl]-4-cyano-benzamide Formula: C26H27N4O+ MolecularWeight: 411.51878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N4O/c27-18-21-6-10-24(11-7-21)26(31)28-25-12-8-23(9-13-25)20-30-16-14-29(15-17-30)19-22-4-2-1-3-5-22/h1-13H,14-17,19-20H2,(H,28,31)/p+1