2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-1-[(3S)-3-methylpiperidin-1-yl]ethanone

Systemtic Name: 2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-1-[(3S)-3-methylpiperidin-1-yl]ethanone Openeye Name: 2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanyl]-1-[(3S)-3-methyl-1-piperidyl]ethanone CAS Name: 2-[[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]thio]-1-[(3S)-3-methyl-1-piperidinyl]ethanone IUPAC Name: 2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-1-[(3S)-3-methylpiperidin-1-yl]ethanone Traditional Name: 2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]-1-[(3S)-3-methylpiperidino]ethanone Formula: C18H29N4O3S2+ MolecularWeight: 413.57786

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C18H28N4O3S2/c1-15-4-3-7-21(13-15)18(23)14-26-17-6-5-16(12-19-17)27(24,25)22-10-8-20(2)9-11-22/h5-6,12,15H,3-4,7-11,13-14H2,1-2H3/p+1/t15-/m0/s1