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

Systemtic Name: methyl-(2-pyridin-2-ylethyl)-[(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]azanium Openeye Name: methyl-[2-(2-pyridyl)ethyl]-[(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-3-piperidyl]ammonium CAS Name: methyl-[2-(2-pyridinyl)ethyl]-[(3S)-1-[(1,3,5-trimethyl-4-pyrazolyl)sulfonyl]-3-piperidinyl]ammonium IUPAC Name: methyl-(2-pyridin-2-ylethyl)-[(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]azanium Traditional Name: methyl-[2-(2-pyridyl)ethyl]-[(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-3-piperidyl]ammonium Formula: C19H30N5O2S+ MolecularWeight: 392.5388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)S(=O)(=O)N2CCCC(C2)[NH+](C)CCC3=CC=CC=N3

Isomeric SMILES

CC1=C(C(=NN1C)C)S(=O)(=O)N2CCC[C@@H](C2)[NH+](C)CCC3=CC=CC=N3

InChI

InChI=1S/C19H29N5O2S/c1-15-19(16(2)23(4)21-15)27(25,26)24-12-7-9-18(14-24)22(3)13-10-17-8-5-6-11-20-17/h5-6,8,11,18H,7,9-10,12-14H2,1-4H3/p+1/t18-/m0/s1