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

Systemtic Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-N-[(1R)-1-cyano-1-cyclopropyl-ethyl]acetamide CAS Name: N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(diphenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide Traditional Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-N-[(1R)-1-cyano-1-cyclopropyl-ethyl]acetamide Formula: C25H31N4O+ MolecularWeight: 403.53984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)C[NH+]2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)C[NH+]2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H30N4O/c1-25(19-26,22-12-13-22)27-23(30)18-28-14-16-29(17-15-28)24(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,22,24H,12-18H2,1H3,(H,27,30)/p+1/t25-/m0/s1