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

Systemtic Name: 3-cyano-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]benzamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3-cyano-benzamide CAS Name: 3-cyano-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]benzamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3-cyanobenzamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3-cyano-benzamide Formula: C25H25N4O+ MolecularWeight: 397.4922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N4O/c26-18-21-7-4-8-22(17-21)25(30)27-23-9-11-24(12-10-23)29-15-13-28(14-16-29)19-20-5-2-1-3-6-20/h1-12,17H,13-16,19H2,(H,27,30)/p+1