1-[2-[(2R)-1-ethyl-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoyl]-4-phenyl-piperidine-4-carbonitrile

Systemtic Name: 1-[2-[(2R)-1-ethyl-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoyl]-4-phenyl-piperidine-4-carbonitrile Openeye Name: 1-[2-[(2R)-1-ethyl-3-oxo-piperazin-1-ium-2-yl]acetyl]-4-phenyl-piperidine-4-carbonitrile CAS Name: 1-[2-[(2R)-1-ethyl-3-oxo-2-piperazin-1-iumyl]-1-oxoethyl]-4-phenyl-4-piperidinecarbonitrile IUPAC Name: 1-[2-[(2R)-1-ethyl-3-oxopiperazin-1-ium-2-yl]acetyl]-4-phenylpiperidine-4-carbonitrile Traditional Name: 1-[2-[(2R)-1-ethyl-3-keto-piperazin-1-ium-2-yl]acetyl]-4-phenyl-isonipecotonitrile Formula: C20H27N4O2+ MolecularWeight: 355.45398

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCNC(=O)C1CC(=O)N2CCC(CC2)(C#N)C3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CCNC(=O)[C@H]1CC(=O)N2CCC(CC2)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C20H26N4O2/c1-2-23-13-10-22-19(26)17(23)14-18(25)24-11-8-20(15-21,9-12-24)16-6-4-3-5-7-16/h3-7,17H,2,8-14H2,1H3,(H,22,26)/p+1/t17-/m1/s1