(2R)-N-(1-cyanocyclohexyl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(1-cyanocyclohexyl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-2-(4-benzoylpiperazin-1-ium-1-yl)-N-(1-cyanocyclohexyl)propanamide CAS Name: (2R)-2-(4-benzoyl-1-piperazin-1-iumyl)-N-(1-cyanocyclohexyl)propanamide IUPAC Name: (2R)-2-(4-benzoylpiperazin-1-ium-1-yl)-N-(1-cyanocyclohexyl)propanamide Traditional Name: (2R)-2-(4-benzoylpiperazin-1-ium-1-yl)-N-(1-cyanocyclohexyl)propionamide Formula: C21H29N4O2+ MolecularWeight: 369.48056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O2/c1-17(19(26)23-21(16-22)10-6-3-7-11-21)24-12-14-25(15-13-24)20(27)18-8-4-2-5-9-18/h2,4-5,8-9,17H,3,6-7,10-15H2,1H3,(H,23,26)/p+1/t17-/m1/s1