(2R)-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-N-prop-2-enyl-propanamide

Systemtic Name: (2R)-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-N-prop-2-enyl-propanamide Openeye Name: (2R)-N-allyl-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanyl]propanamide CAS Name: (2R)-2-[[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]thio]-N-prop-2-enylpropanamide IUPAC Name: (2R)-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-N-prop-2-enylpropanamide Traditional Name: (2R)-N-allyl-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]propionamide Formula: C16H25N4O3S2+ MolecularWeight: 385.5247

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)SC1=NC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C

Isomeric SMILES

C[C@H](C(=O)NCC=C)SC1=NC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C

InChI

InChI=1S/C16H24N4O3S2/c1-4-7-17-16(21)13(2)24-15-6-5-14(12-18-15)25(22,23)20-10-8-19(3)9-11-20/h4-6,12-13H,1,7-11H2,2-3H3,(H,17,21)/p+1/t13-/m1/s1