3-[[(3S)-1-(2,5-dimethylphenyl)sulfonylpiperidin-3-yl]-methyl-amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(3S)-1-(2,5-dimethylphenyl)sulfonylpiperidin-3-yl]-methyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[[(3S)-1-(2,5-dimethylphenyl)sulfonyl-3-piperidyl]-methyl-amino]propyl-dimethyl-ammonium CAS Name: 3-[[(3S)-1-(2,5-dimethylphenyl)sulfonyl-3-piperidinyl]-methylamino]propyl-dimethylammonium IUPAC Name: 3-[[(3S)-1-(2,5-dimethylphenyl)sulfonylpiperidin-3-yl]-methylamino]propyl-dimethylazanium Traditional Name: 3-[[(3S)-1-(2,5-dimethylphenyl)sulfonyl-3-piperidyl]-methyl-amino]propyl-dimethyl-ammonium Formula: C19H34N3O2S+ MolecularWeight: 368.55716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCCC(C2)N(C)CCC[NH+](C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCC[C@@H](C2)N(C)CCC[NH+](C)C

InChI

InChI=1S/C19H33N3O2S/c1-16-9-10-17(2)19(14-16)25(23,24)22-13-6-8-18(15-22)21(5)12-7-11-20(3)4/h9-10,14,18H,6-8,11-13,15H2,1-5H3/p+1/t18-/m0/s1