2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-(2-methoxyethanoyl)piperidin-3-yl]-methyl-azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-(2-methoxyethanoyl)piperidin-3-yl]-methyl-azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-(2-methoxyacetyl)-3-piperidyl]-methyl-ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-(2-methoxy-1-oxoethyl)-3-piperidinyl]-methylammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-(2-methoxyacetyl)piperidin-3-yl]-methylazanium Traditional Name: homoveratryl-[(3S)-1-(2-methoxyacetyl)-3-piperidyl]-methyl-ammonium Formula: C19H31N2O4+ MolecularWeight: 351.46044

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC(=C(C=C1)OC)OC)C2CCCN(C2)C(=O)COC

Isomeric SMILES

C[NH+](CCC1=CC(=C(C=C1)OC)OC)[C@H]2CCCN(C2)C(=O)COC

InChI

InChI=1S/C19H30N2O4/c1-20(16-6-5-10-21(13-16)19(22)14-23-2)11-9-15-7-8-17(24-3)18(12-15)25-4/h7-8,12,16H,5-6,9-11,13-14H2,1-4H3/p+1/t16-/m0/s1