[(3S)-1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-3-yl]-methyl-(2-pyridin-2-ylethyl)azanium

Systemtic Name: [(3S)-1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-3-yl]-methyl-(2-pyridin-2-ylethyl)azanium Openeye Name: [(3S)-1-[(2,5-dimethyl-3-thienyl)sulfonyl]-3-piperidyl]-methyl-[2-(2-pyridyl)ethyl]ammonium CAS Name: [(3S)-1-[(2,5-dimethyl-3-thiophenyl)sulfonyl]-3-piperidinyl]-methyl-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [(3S)-1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-3-yl]-methyl-(2-pyridin-2-ylethyl)azanium Traditional Name: [(3S)-1-[(2,5-dimethyl-3-thienyl)sulfonyl]-3-piperidyl]-methyl-[2-(2-pyridyl)ethyl]ammonium Formula: C19H28N3O2S2+ MolecularWeight: 394.57452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)S(=O)(=O)N2CCCC(C2)[NH+](C)CCC3=CC=CC=N3

Isomeric SMILES

CC1=CC(=C(S1)C)S(=O)(=O)N2CCC[C@@H](C2)[NH+](C)CCC3=CC=CC=N3

InChI

InChI=1S/C19H27N3O2S2/c1-15-13-19(16(2)25-15)26(23,24)22-11-6-8-18(14-22)21(3)12-9-17-7-4-5-10-20-17/h4-5,7,10,13,18H,6,8-9,11-12,14H2,1-3H3/p+1/t18-/m0/s1