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

Systemtic Name: 6-[[(R)-(4-butylphenyl)-thiophen-2-yl-methyl]amino]pyridin-1-ium-3-sulfonamide Openeye Name: 6-[[(R)-(4-butylphenyl)-(2-thienyl)methyl]amino]pyridin-1-ium-3-sulfonamide CAS Name: 6-[[(R)-(4-butylphenyl)-thiophen-2-ylmethyl]amino]-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[[(R)-(4-butylphenyl)-thiophen-2-ylmethyl]amino]pyridin-1-ium-3-sulfonamide Traditional Name: 6-[[(R)-(4-butylphenyl)-(2-thienyl)methyl]amino]pyridin-1-ium-3-sulfonamide Formula: C20H24N3O2S2+ MolecularWeight: 402.55346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(C2=CC=CS2)NC3=[NH+]C=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)[C@H](C2=CC=CS2)NC3=[NH+]C=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C20H23N3O2S2/c1-2-3-5-15-7-9-16(10-8-15)20(18-6-4-13-26-18)23-19-12-11-17(14-22-19)27(21,24)25/h4,6-14,20H,2-3,5H2,1H3,(H,22,23)(H2,21,24,25)/p+1/t20-/m1/s1