[(3S)-1-(4-chloranyl-2,5-dimethyl-phenyl)sulfonylpiperidin-3-yl]-methyl-(2-pyridin-2-ylethyl)azanium

Systemtic Name: [(3S)-1-(4-chloranyl-2,5-dimethyl-phenyl)sulfonylpiperidin-3-yl]-methyl-(2-pyridin-2-ylethyl)azanium Openeye Name: [(3S)-1-(4-chloro-2,5-dimethyl-phenyl)sulfonyl-3-piperidyl]-methyl-[2-(2-pyridyl)ethyl]ammonium CAS Name: [(3S)-1-(4-chloro-2,5-dimethylphenyl)sulfonyl-3-piperidinyl]-methyl-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [(3S)-1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-3-yl]-methyl-(2-pyridin-2-ylethyl)azanium Traditional Name: [(3S)-1-(4-chloro-2,5-dimethyl-phenyl)sulfonyl-3-piperidyl]-methyl-[2-(2-pyridyl)ethyl]ammonium Formula: C21H29ClN3O2S+ MolecularWeight: 422.99186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)N2CCCC(C2)[NH+](C)CCC3=CC=CC=N3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)N2CCC[C@@H](C2)[NH+](C)CCC3=CC=CC=N3

InChI

InChI=1S/C21H28ClN3O2S/c1-16-14-21(17(2)13-20(16)22)28(26,27)25-11-6-8-19(15-25)24(3)12-9-18-7-4-5-10-23-18/h4-5,7,10,13-14,19H,6,8-9,11-12,15H2,1-3H3/p+1/t19-/m0/s1