1-methyl-4-[6-[(2S)-2-methylpiperidin-1-yl]pyridin-3-yl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-methyl-4-[6-[(2S)-2-methylpiperidin-1-yl]pyridin-3-yl]sulfonyl-piperazin-1-ium Openeye Name: 1-methyl-4-[[6-[(2S)-2-methyl-1-piperidyl]-3-pyridyl]sulfonyl]piperazin-1-ium CAS Name: 1-methyl-4-[[6-[(2S)-2-methyl-1-piperidinyl]-3-pyridinyl]sulfonyl]piperazin-1-ium IUPAC Name: 1-methyl-4-[6-[(2S)-2-methylpiperidin-1-yl]pyridin-3-yl]sulfonylpiperazin-1-ium Traditional Name: 1-methyl-4-[[6-[(2S)-2-methylpiperidino]-3-pyridyl]sulfonyl]piperazin-1-ium Formula: C16H27N4O2S+ MolecularWeight: 339.47618

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=NC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

C[C@H]1CCCCN1C2=NC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C16H26N4O2S/c1-14-5-3-4-8-20(14)16-7-6-15(13-17-16)23(21,22)19-11-9-18(2)10-12-19/h6-7,13-14H,3-5,8-12H2,1-2H3/p+1/t14-/m0/s1