[(3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]-ethyl-(pyridin-4-ylmethyl)azanium

Systemtic Name: [(3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]-ethyl-(pyridin-4-ylmethyl)azanium Openeye Name: [(3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-piperidyl]-ethyl-(4-pyridylmethyl)ammonium CAS Name: [(3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-piperidinyl]-ethyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: [(3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]-ethyl-(pyridin-4-ylmethyl)azanium Traditional Name: [(3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-piperidyl]-ethyl-(4-pyridylmethyl)ammonium Formula: C18H28N5O2S+ MolecularWeight: 378.51222

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=NC=C1)C2CCCN(C2)S(=O)(=O)C3=C(NN=C3C)C

Isomeric SMILES

CC[NH+](CC1=CC=NC=C1)[C@H]2CCCN(C2)S(=O)(=O)C3=C(NN=C3C)C

InChI

InChI=1S/C18H27N5O2S/c1-4-22(12-16-7-9-19-10-8-16)17-6-5-11-23(13-17)26(24,25)18-14(2)20-21-15(18)3/h7-10,17H,4-6,11-13H2,1-3H3,(H,20,21)/p+1/t17-/m0/s1