3-(dimethylazaniumyl)propyl-[(3S)-1-(4-ethylphenyl)sulfonylpiperidin-3-yl]-methyl-azanium

Systemtic Name: 3-(dimethylazaniumyl)propyl-[(3S)-1-(4-ethylphenyl)sulfonylpiperidin-3-yl]-methyl-azanium Openeye Name: 3-(dimethylammonio)propyl-[(3S)-1-(4-ethylphenyl)sulfonyl-3-piperidyl]-methyl-ammonium CAS Name: 3-(dimethylammonio)propyl-[(3S)-1-(4-ethylphenyl)sulfonyl-3-piperidinyl]-methylammonium IUPAC Name: 3-(dimethylazaniumyl)propyl-[(3S)-1-(4-ethylphenyl)sulfonylpiperidin-3-yl]-methylazanium Traditional Name: 3-(dimethylammonio)propyl-[(3S)-1-(4-ethylphenyl)sulfonyl-3-piperidyl]-methyl-ammonium Formula: C19H35N3O2S+2 MolecularWeight: 369.5651

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)[NH+](C)CCC[NH+](C)C

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)[NH+](C)CCC[NH+](C)C

InChI

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