methyl 1-[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(1R)-2-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1R)-2-keto-1-methyl-2-(p-anisylamino)ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C18H27N2O4+ MolecularWeight: 335.41798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)OC)[NH+]2CCC(CC2)C(=O)OC

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=C(C=C1)OC)[NH+]2CCC(CC2)C(=O)OC

InChI

InChI=1S/C18H26N2O4/c1-13(20-10-8-15(9-11-20)18(22)24-3)17(21)19-12-14-4-6-16(23-2)7-5-14/h4-7,13,15H,8-12H2,1-3H3,(H,19,21)/p+1/t13-/m1/s1