methyl (2S)-2-[[1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]carbonylamino]-2-phenyl-ethanoate

Systemtic Name: methyl (2S)-2-[[1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]carbonylamino]-2-phenyl-ethanoate Openeye Name: methyl (2S)-2-[[1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-2-phenyl-acetate CAS Name: (2S)-2-[[[1-[(3,4-dimethoxyphenyl)methyl]-4-piperidin-1-iumyl]-oxomethyl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl (2S)-2-[[1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-2-phenylacetate Traditional Name: (2S)-2-phenyl-2-[(1-veratrylpiperidin-1-ium-4-carbonyl)amino]acetic acid methyl ester Formula: C24H31N2O5+ MolecularWeight: 427.51334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCC(CC2)C(=O)N[C@@H](C3=CC=CC=C3)C(=O)OC)OC

InChI

InChI=1S/C24H30N2O5/c1-29-20-10-9-17(15-21(20)30-2)16-26-13-11-19(12-14-26)23(27)25-22(24(28)31-3)18-7-5-4-6-8-18/h4-10,15,19,22H,11-14,16H2,1-3H3,(H,25,27)/p+1/t22-/m0/s1