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

Systemtic Name: (3S)-1-[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl]piperidin-1-ium-3-carboxamide Formula: C19H32N3O2+ MolecularWeight: 334.47628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)[NH+]4CCCC(C4)C(=O)N

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)[NH+]4CCC[C@@H](C4)C(=O)N

InChI

InChI=1S/C19H31N3O2/c1-12(22-4-2-3-16(11-22)17(20)23)18(24)21-19-8-13-5-14(9-19)7-15(6-13)10-19/h12-16H,2-11H2,1H3,(H2,20,23)(H,21,24)/p+1/t12-,13?,14?,15?,16+,19?/m1/s1