[1-[(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]piperidin-1-ium-4-yl]methanol

Systemtic Name: [1-[(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]piperidin-1-ium-4-yl]methanol Openeye Name: [1-[(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-3-piperidyl]piperidin-1-ium-4-yl]methanol CAS Name: [1-[(3S)-1-[(1,3,5-trimethyl-4-pyrazolyl)sulfonyl]-3-piperidinyl]-4-piperidin-1-iumyl]methanol IUPAC Name: [1-[(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]piperidin-1-ium-4-yl]methanol Traditional Name: [1-[(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-3-piperidyl]piperidin-1-ium-4-yl]methanol Formula: C17H31N4O3S+ MolecularWeight: 371.51804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)S(=O)(=O)N2CCCC(C2)[NH+]3CCC(CC3)CO

Isomeric SMILES

CC1=C(C(=NN1C)C)S(=O)(=O)N2CCC[C@@H](C2)[NH+]3CCC(CC3)CO

InChI

InChI=1S/C17H30N4O3S/c1-13-17(14(2)19(3)18-13)25(23,24)21-8-4-5-16(11-21)20-9-6-15(12-22)7-10-20/h15-16,22H,4-12H2,1-3H3/p+1/t16-/m0/s1