(2S)-N-(1-cyanocyclohexyl)-2-[4-(2-methyl-2-phenyl-propanoyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(1-cyanocyclohexyl)-2-[4-(2-methyl-2-phenyl-propanoyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(1-cyanocyclohexyl)-2-[4-(2-methyl-2-phenyl-propanoyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(1-cyanocyclohexyl)-2-[4-(2-methyl-1-oxo-2-phenylpropyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(1-cyanocyclohexyl)-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(1-cyanocyclohexyl)-2-[4-(2-methyl-2-phenyl-propanoyl)piperazin-1-ium-1-yl]propionamide Formula: C24H35N4O2+ MolecularWeight: 411.5603

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)[NH+]2CCN(CC2)C(=O)C(C)(C)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1(CCCCC1)C#N)[NH+]2CCN(CC2)C(=O)C(C)(C)C3=CC=CC=C3

InChI

InChI=1S/C24H34N4O2/c1-19(21(29)26-24(18-25)12-8-5-9-13-24)27-14-16-28(17-15-27)22(30)23(2,3)20-10-6-4-7-11-20/h4,6-7,10-11,19H,5,8-9,12-17H2,1-3H3,(H,26,29)/p+1/t19-/m0/s1