1-methyl-4-[6-[(3S)-3-methylpiperidin-1-yl]pyridin-3-yl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-methyl-4-[6-[(3S)-3-methylpiperidin-1-yl]pyridin-3-yl]sulfonyl-piperazin-1-ium Openeye Name: 1-methyl-4-[[6-[(3S)-3-methyl-1-piperidyl]-3-pyridyl]sulfonyl]piperazin-1-ium CAS Name: 1-methyl-4-[[6-[(3S)-3-methyl-1-piperidinyl]-3-pyridinyl]sulfonyl]piperazin-1-ium IUPAC Name: 1-methyl-4-[6-[(3S)-3-methylpiperidin-1-yl]pyridin-3-yl]sulfonylpiperazin-1-ium Traditional Name: 1-methyl-4-[[6-[(3S)-3-methylpiperidino]-3-pyridyl]sulfonyl]piperazin-1-ium Formula: C16H27N4O2S+ MolecularWeight: 339.47618

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=NC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

C[C@H]1CCCN(C1)C2=NC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C16H26N4O2S/c1-14-4-3-7-19(13-14)16-6-5-15(12-17-16)23(21,22)20-10-8-18(2)9-11-20/h5-6,12,14H,3-4,7-11,13H2,1-2H3/p+1/t14-/m0/s1