(2S)-N-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-2-carboxamide

Systemtic Name: (2S)-N-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-2-carboxamide Openeye Name: (2S)-N-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-2-carboxamide CAS Name: (2S)-N-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-N-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-2-carboxamide Traditional Name: (2S)-N-(3,4-dimethoxyphenyl)-1-veratryl-piperidin-1-ium-2-carboxamide Formula: C23H31N2O5+ MolecularWeight: 415.50264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCCCC2C(=O)NC3=CC(=C(C=C3)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCCC[C@H]2C(=O)NC3=CC(=C(C=C3)OC)OC)OC

InChI

InChI=1S/C23H30N2O5/c1-27-19-10-8-16(13-21(19)29-3)15-25-12-6-5-7-18(25)23(26)24-17-9-11-20(28-2)22(14-17)30-4/h8-11,13-14,18H,5-7,12,15H2,1-4H3,(H,24,26)/p+1/t18-/m0/s1