methyl 1-[2-[(3-methoxy-4-phenylmethoxy-phenyl)methylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-[(3-methoxy-4-phenylmethoxy-phenyl)methylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-[(4-benzyloxy-3-methoxy-phenyl)methylamino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[(4-benzoxy-3-methoxy-benzyl)amino]-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C24H31N2O5+ MolecularWeight: 427.51334

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC(=O)C[NH+]2CCC(CC2)C(=O)OC)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)CNC(=O)C[NH+]2CCC(CC2)C(=O)OC)OCC3=CC=CC=C3

InChI

InChI=1S/C24H30N2O5/c1-29-22-14-19(8-9-21(22)31-17-18-6-4-3-5-7-18)15-25-23(27)16-26-12-10-20(11-13-26)24(28)30-2/h3-9,14,20H,10-13,15-17H2,1-2H3,(H,25,27)/p+1