6-[methyl(thiophen-3-ylmethyl)amino]-N-pyridin-1-ium-2-yl-pyridine-3-sulfonamide

Systemtic Name: 6-[methyl(thiophen-3-ylmethyl)amino]-N-pyridin-1-ium-2-yl-pyridine-3-sulfonamide Openeye Name: 6-[methyl(3-thienylmethyl)amino]-N-pyridin-1-ium-2-yl-pyridine-3-sulfonamide CAS Name: 6-[methyl(3-thiophenylmethyl)amino]-N-(2-pyridin-1-iumyl)-3-pyridinesulfonamide IUPAC Name: 6-[methyl(thiophen-3-ylmethyl)amino]-N-pyridin-1-ium-2-ylpyridine-3-sulfonamide Traditional Name: 6-[methyl(3-thenyl)amino]-N-pyridin-1-ium-2-yl-pyridine-3-sulfonamide Formula: C16H17N4O2S2+ MolecularWeight: 361.46178

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CSC=C1)C2=NC=C(C=C2)S(=O)(=O)NC3=CC=CC=[NH+]3

Isomeric SMILES

CN(CC1=CSC=C1)C2=NC=C(C=C2)S(=O)(=O)NC3=CC=CC=[NH+]3

InChI

InChI=1S/C16H16N4O2S2/c1-20(11-13-7-9-23-12-13)16-6-5-14(10-18-16)24(21,22)19-15-4-2-3-8-17-15/h2-10,12H,11H2,1H3,(H,17,19)/p+1