2-[[(3S)-3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]piperidin-1-ium-1-yl]methyl]-6-ethoxy-phenol

Systemtic Name: 2-[[(3S)-3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]piperidin-1-ium-1-yl]methyl]-6-ethoxy-phenol Openeye Name: 2-[[(3S)-3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]piperidin-1-ium-1-yl]methyl]-6-ethoxy-phenol CAS Name: 2-[[(3S)-3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1-piperidin-1-iumyl]methyl]-6-ethoxyphenol IUPAC Name: 2-[[(3S)-3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]piperidin-1-ium-1-yl]methyl]-6-ethoxyphenol Traditional Name: 2-ethoxy-6-[[(3S)-3-[homoveratryl(methyl)amino]piperidin-1-ium-1-yl]methyl]phenol Formula: C25H37N2O4+ MolecularWeight: 429.57228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1O)C[NH+]2CCCC(C2)N(C)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCOC1=CC=CC(=C1O)C[NH+]2CCC[C@@H](C2)N(C)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C25H36N2O4/c1-5-31-23-10-6-8-20(25(23)28)17-27-14-7-9-21(18-27)26(2)15-13-19-11-12-22(29-3)24(16-19)30-4/h6,8,10-12,16,21,28H,5,7,9,13-15,17-18H2,1-4H3/p+1/t21-/m0/s1