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

Systemtic Name: 6-[[(R)-(4-ethylphenyl)-thiophen-2-yl-methyl]amino]pyridin-1-ium-3-sulfonamide Openeye Name: 6-[[(R)-(4-ethylphenyl)-(2-thienyl)methyl]amino]pyridin-1-ium-3-sulfonamide CAS Name: 6-[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]pyridin-1-ium-3-sulfonamide Traditional Name: 6-[[(R)-(4-ethylphenyl)-(2-thienyl)methyl]amino]pyridin-1-ium-3-sulfonamide Formula: C18H20N3O2S2+ MolecularWeight: 374.5003

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC=CS2)NC3=[NH+]C=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C2=CC=CS2)NC3=[NH+]C=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C18H19N3O2S2/c1-2-13-5-7-14(8-6-13)18(16-4-3-11-24-16)21-17-10-9-15(12-20-17)25(19,22)23/h3-12,18H,2H2,1H3,(H,20,21)(H2,19,22,23)/p+1/t18-/m1/s1