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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(p-tolylsulfonyl)-3-piperidyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(4-methylphenyl)sulfonyl-3-piperidinyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]azanium Traditional Name: homoveratryl-methyl-[(3S)-1-tosyl-3-piperidyl]ammonium Formula: C23H33N2O4S+ MolecularWeight: 433.58412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)[NH+](C)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)[NH+](C)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H32N2O4S/c1-18-7-10-21(11-8-18)30(26,27)25-14-5-6-20(17-25)24(2)15-13-19-9-12-22(28-3)23(16-19)29-4/h7-12,16,20H,5-6,13-15,17H2,1-4H3/p+1/t20-/m0/s1