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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(3-methylsulfanylpropanoyl)piperidin-3-yl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(3-methylsulfanylpropanoyl)-3-piperidyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-[3-(methylthio)-1-oxopropyl]-3-piperidinyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(3-methylsulfanylpropanoyl)piperidin-3-yl]azanium Traditional Name: homoveratryl-methyl-[(3S)-1-[3-(methylthio)propanoyl]-3-piperidyl]ammonium Formula: C20H33N2O3S+ MolecularWeight: 381.55262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N2O3S/c1-21(12-9-16-7-8-18(24-2)19(14-16)25-3)17-6-5-11-22(15-17)20(23)10-13-26-4/h7-8,14,17H,5-6,9-13,15H2,1-4H3/p+1/t17-/m0/s1