1-[(2R)-1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2R)-1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1R)-2-(3,4-dimethoxyanilino)-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2R)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2R)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(1R)-2-(3,4-dimethoxyanilino)-2-keto-1-methyl-ethyl]piperidin-1-ium-4-carboxamide Formula: C17H26N3O4+ MolecularWeight: 336.40604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)[NH+]2CCC(CC2)C(=O)N

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=C(C=C1)OC)OC)[NH+]2CCC(CC2)C(=O)N

InChI

InChI=1S/C17H25N3O4/c1-11(20-8-6-12(7-9-20)16(18)21)17(22)19-13-4-5-14(23-2)15(10-13)24-3/h4-5,10-12H,6-9H2,1-3H3,(H2,18,21)(H,19,22)/p+1/t11-/m1/s1