(2S)-2-[4-(4-methylphenyl)carbonylpiperazin-1-ium-1-yl]-2-phenyl-ethanenitrile

Systemtic Name: (2S)-2-[4-(4-methylphenyl)carbonylpiperazin-1-ium-1-yl]-2-phenyl-ethanenitrile Openeye Name: (2S)-2-[4-(4-methylbenzoyl)piperazin-1-ium-1-yl]-2-phenyl-acetonitrile CAS Name: (2S)-2-[4-[(4-methylphenyl)-oxomethyl]-1-piperazin-1-iumyl]-2-phenylacetonitrile IUPAC Name: (2S)-2-[4-(4-methylbenzoyl)piperazin-1-ium-1-yl]-2-phenylacetonitrile Traditional Name: (2S)-2-phenyl-2-(4-p-toluoylpiperazin-1-ium-1-yl)acetonitrile Formula: C20H22N3O+ MolecularWeight: 320.40818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)C(C#N)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)[C@H](C#N)C3=CC=CC=C3

InChI

InChI=1S/C20H21N3O/c1-16-7-9-18(10-8-16)20(24)23-13-11-22(12-14-23)19(15-21)17-5-3-2-4-6-17/h2-10,19H,11-14H2,1H3/p+1/t19-/m1/s1