(3R)-1-[2-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[2-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[2-(2-chloro-4,6-dimethyl-anilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[2-(2-chloro-4,6-dimethyl-anilino)-2-keto-ethyl]piperidin-1-ium-3-carboxamide Formula: C16H23ClN3O2+ MolecularWeight: 324.82572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)C[NH+]2CCCC(C2)C(=O)N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)C[NH+]2CCC[C@H](C2)C(=O)N)C

InChI

InChI=1S/C16H22ClN3O2/c1-10-6-11(2)15(13(17)7-10)19-14(21)9-20-5-3-4-12(8-20)16(18)22/h6-7,12H,3-5,8-9H2,1-2H3,(H2,18,22)(H,19,21)/p+1/t12-/m1/s1