[(2S)-1-[(2-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(piperidin-1-ium-1-ylmethyl)benzoate

Systemtic Name: [(2S)-1-[(2-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(piperidin-1-ium-1-ylmethyl)benzoate Openeye Name: [(1S)-2-(2-methoxyanilino)-1-methyl-2-oxo-ethyl] 4-(piperidin-1-ium-1-ylmethyl)benzoate CAS Name: 4-(1-piperidin-1-iumylmethyl)benzoic acid [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 4-(piperidin-1-ium-1-ylmethyl)benzoate Traditional Name: 4-(piperidin-1-ium-1-ylmethyl)benzoic acid [(1S)-2-keto-1-methyl-2-(o-anisidino)ethyl] ester Formula: C23H29N2O4+ MolecularWeight: 397.48736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1OC)OC(=O)C2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1OC)OC(=O)C2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C23H28N2O4/c1-17(22(26)24-20-8-4-5-9-21(20)28-2)29-23(27)19-12-10-18(11-13-19)16-25-14-6-3-7-15-25/h4-5,8-13,17H,3,6-7,14-16H2,1-2H3,(H,24,26)/p+1/t17-/m0/s1