(3S)-1-[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(1R)-2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(1R)-2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl]piperidin-1-ium-3-carboxamide Formula: C16H27N4O2+ MolecularWeight: 307.41118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)[NH+]2CCCC(C2)C(=O)N

Isomeric SMILES

C[C@H](C(=O)NC1(CCCCC1)C#N)[NH+]2CCC[C@@H](C2)C(=O)N

InChI

InChI=1S/C16H26N4O2/c1-12(20-9-5-6-13(10-20)14(18)21)15(22)19-16(11-17)7-3-2-4-8-16/h12-13H,2-10H2,1H3,(H2,18,21)(H,19,22)/p+1/t12-,13+/m1/s1