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

Systemtic Name: [(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-(piperidin-1-ium-1-ylmethyl)benzoate Openeye Name: [(1S)-2-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 4-(piperidin-1-ium-1-ylmethyl)benzoate CAS Name: 4-(1-piperidin-1-iumylmethyl)benzoic acid [(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(4-methoxyphenyl)methylamino]-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-(p-anisylamino)ethyl] ester Formula: C24H31N2O4+ MolecularWeight: 411.51394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)OC)OC(=O)C2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=C(C=C1)OC)OC(=O)C2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C24H30N2O4/c1-18(23(27)25-16-19-8-12-22(29-2)13-9-19)30-24(28)21-10-6-20(7-11-21)17-26-14-4-3-5-15-26/h6-13,18H,3-5,14-17H2,1-2H3,(H,25,27)/p+1/t18-/m0/s1