N-methyl-4-(4-prop-2-enylpiperazin-1-yl)pyridin-1-ium-3-sulfonamide

Systemtic Name: N-methyl-4-(4-prop-2-enylpiperazin-1-yl)pyridin-1-ium-3-sulfonamide Openeye Name: 4-(4-allylpiperazin-1-yl)-N-methyl-pyridin-1-ium-3-sulfonamide CAS Name: N-methyl-4-(4-prop-2-enyl-1-piperazinyl)-3-pyridin-1-iumsulfonamide IUPAC Name: N-methyl-4-(4-prop-2-enylpiperazin-1-yl)pyridin-1-ium-3-sulfonamide Traditional Name: 4-(4-allylpiperazino)-N-methyl-pyridin-1-ium-3-sulfonamide Formula: C13H21N4O2S+ MolecularWeight: 297.39644

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=C(C=C[NH+]=C1)N2CCN(CC2)CC=C

Isomeric SMILES

CNS(=O)(=O)C1=C(C=C[NH+]=C1)N2CCN(CC2)CC=C

InChI

InChI=1S/C13H20N4O2S/c1-3-6-16-7-9-17(10-8-16)12-4-5-15-11-13(12)20(18,19)14-2/h3-5,11,14H,1,6-10H2,2H3/p+1