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

Systemtic Name: [(3S)-1-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)sulfonylpiperidin-3-yl]-methyl-(2-pyridin-2-ylethyl)azanium Openeye Name: [(3S)-1-(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonyl-3-piperidyl]-methyl-[2-(2-pyridyl)ethyl]ammonium CAS Name: [(3S)-1-[(5-chloro-1,3-dimethyl-4-pyrazolyl)sulfonyl]-3-piperidinyl]-methyl-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [(3S)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-methyl-(2-pyridin-2-ylethyl)azanium Traditional Name: [(3S)-1-(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonyl-3-piperidyl]-methyl-[2-(2-pyridyl)ethyl]ammonium Formula: C18H27ClN5O2S+ MolecularWeight: 412.95728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1S(=O)(=O)N2CCCC(C2)[NH+](C)CCC3=CC=CC=N3)Cl)C

Isomeric SMILES

CC1=NN(C(=C1S(=O)(=O)N2CCC[C@@H](C2)[NH+](C)CCC3=CC=CC=N3)Cl)C

InChI

InChI=1S/C18H26ClN5O2S/c1-14-17(18(19)23(3)21-14)27(25,26)24-11-6-8-16(13-24)22(2)12-9-15-7-4-5-10-20-15/h4-5,7,10,16H,6,8-9,11-13H2,1-3H3/p+1/t16-/m0/s1