N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[(1R)-1-cyano-1-cyclopropyl-ethyl]acetamide CAS Name: N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide Traditional Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[(1R)-1-cyano-1-cyclopropyl-ethyl]acetamide Formula: C19H27N4O+ MolecularWeight: 327.44388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H26N4O/c1-19(15-20,17-7-8-17)21-18(24)14-23-11-9-22(10-12-23)13-16-5-3-2-4-6-16/h2-6,17H,7-14H2,1H3,(H,21,24)/p+1/t19-/m0/s1