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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-prop-2-enylsulfonylpiperidin-3-yl]azanium Openeye Name: [(3S)-1-allylsulfonyl-3-piperidyl]-[2-(3,4-dimethoxyphenyl)ethyl]-methyl-ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-prop-2-enylsulfonyl-3-piperidinyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-prop-2-enylsulfonylpiperidin-3-yl]azanium Traditional Name: [(3S)-1-allylsulfonyl-3-piperidyl]-homoveratryl-methyl-ammonium Formula: C19H31N2O4S+ MolecularWeight: 383.52544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N2O4S/c1-5-13-26(22,23)21-11-6-7-17(15-21)20(2)12-10-16-8-9-18(24-3)19(14-16)25-4/h5,8-9,14,17H,1,6-7,10-13,15H2,2-4H3/p+1/t17-/m0/s1