N-ethyl-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-N-(2-methylprop-2-enyl)ethanamide

Systemtic Name: N-ethyl-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-N-(2-methylprop-2-enyl)ethanamide Openeye Name: N-ethyl-N-(2-methylallyl)-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanyl]acetamide CAS Name: N-ethyl-2-[[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]thio]-N-(2-methylprop-2-enyl)acetamide IUPAC Name: N-ethyl-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-N-(2-methylprop-2-enyl)acetamide Traditional Name: N-ethyl-N-(2-methylallyl)-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]acetamide Formula: C18H29N4O3S2+ MolecularWeight: 413.57786

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=C)C)C(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C

Isomeric SMILES

CCN(CC(=C)C)C(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C

InChI

InChI=1S/C18H28N4O3S2/c1-5-21(13-15(2)3)18(23)14-26-17-7-6-16(12-19-17)27(24,25)22-10-8-20(4)9-11-22/h6-7,12H,2,5,8-11,13-14H2,1,3-4H3/p+1