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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-propan-2-ylsulfonylpiperidin-3-yl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-isopropylsulfonyl-3-piperidyl]-methyl-ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-propan-2-ylsulfonyl-3-piperidinyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-propan-2-ylsulfonylpiperidin-3-yl]azanium Traditional Name: homoveratryl-[(3S)-1-isopropylsulfonyl-3-piperidyl]-methyl-ammonium Formula: C19H33N2O4S+ MolecularWeight: 385.54132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N1CCCC(C1)[NH+](C)CCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(C)S(=O)(=O)N1CCC[C@@H](C1)[NH+](C)CCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C19H32N2O4S/c1-15(2)26(22,23)21-11-6-7-17(14-21)20(3)12-10-16-8-9-18(24-4)19(13-16)25-5/h8-9,13,15,17H,6-7,10-12,14H2,1-5H3/p+1/t17-/m0/s1