6-[[(R)-(4-methylphenyl)-thiophen-2-yl-methyl]amino]pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-[[(R)-(4-methylphenyl)-thiophen-2-yl-methyl]amino]pyridin-1-ium-3-sulfonamide Openeye Name: 6-[[(R)-p-tolyl(2-thienyl)methyl]amino]pyridin-1-ium-3-sulfonamide CAS Name: 6-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]pyridin-1-ium-3-sulfonamide Traditional Name: 6-[[(R)-p-tolyl(2-thienyl)methyl]amino]pyridin-1-ium-3-sulfonamide Formula: C17H18N3O2S2+ MolecularWeight: 360.47372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CS2)NC3=[NH+]C=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C2=CC=CS2)NC3=[NH+]C=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C17H17N3O2S2/c1-12-4-6-13(7-5-12)17(15-3-2-10-23-15)20-16-9-8-14(11-19-16)24(18,21)22/h2-11,17H,1H3,(H,19,20)(H2,18,21,22)/p+1/t17-/m1/s1