N-[4-(2-cyanopropan-2-yl)phenyl]-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[4-(2-cyanopropan-2-yl)phenyl]-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[4-(1-cyano-1-methyl-ethyl)phenyl]acetamide CAS Name: N-[4-(2-cyanopropan-2-yl)phenyl]-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[4-(2-cyanopropan-2-yl)phenyl]acetamide Traditional Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[4-(1-cyano-1-methyl-ethyl)phenyl]acetamide Formula: C23H29N4O+ MolecularWeight: 377.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)C1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C#N)C1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H28N4O/c1-23(2,18-24)20-8-10-21(11-9-20)25-22(28)17-27-14-12-26(13-15-27)16-19-6-4-3-5-7-19/h3-11H,12-17H2,1-2H3,(H,25,28)/p+1