[(3S)-1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]-methyl-phenethyl-azanium

Systemtic Name: [(3S)-1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]-methyl-phenethyl-azanium Openeye Name: [(3S)-1-(2,5-dimethoxyphenyl)sulfonyl-3-piperidyl]-methyl-phenethyl-ammonium CAS Name: [(3S)-1-(2,5-dimethoxyphenyl)sulfonyl-3-piperidinyl]-methyl-phenethylammonium IUPAC Name: [(3S)-1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]-methyl-phenethylazanium Traditional Name: [(3S)-1-(2,5-dimethoxyphenyl)sulfonyl-3-piperidyl]-methyl-phenethyl-ammonium Formula: C22H31N2O4S+ MolecularWeight: 419.55754

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=C1)C2CCCN(C2)S(=O)(=O)C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

C[NH+](CCC1=CC=CC=C1)[C@H]2CCCN(C2)S(=O)(=O)C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C22H30N2O4S/c1-23(15-13-18-8-5-4-6-9-18)19-10-7-14-24(17-19)29(25,26)22-16-20(27-2)11-12-21(22)28-3/h4-6,8-9,11-12,16,19H,7,10,13-15,17H2,1-3H3/p+1/t19-/m0/s1