(3S)-1-[(2R)-1-[(5-chloranyl-2-methoxy-phenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(2R)-1-[(5-chloranyl-2-methoxy-phenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(1R)-2-(5-chloro-2-methoxy-anilino)-1-methyl-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(1R)-2-(5-chloro-2-methoxy-anilino)-2-keto-1-methyl-ethyl]piperidin-1-ium-3-carboxamide Formula: C16H23ClN3O3+ MolecularWeight: 340.82512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)Cl)OC)[NH+]2CCCC(C2)C(=O)N

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CC(=C1)Cl)OC)[NH+]2CCC[C@@H](C2)C(=O)N

InChI

InChI=1S/C16H22ClN3O3/c1-10(20-7-3-4-11(9-20)15(18)21)16(22)19-13-8-12(17)5-6-14(13)23-2/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H2,18,21)(H,19,22)/p+1/t10-,11+/m1/s1