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

Systemtic Name: 6-[[(R)-(4-propylphenyl)-thiophen-2-yl-methyl]amino]pyridin-1-ium-3-sulfonamide Openeye Name: 6-[[(R)-(4-propylphenyl)-(2-thienyl)methyl]amino]pyridin-1-ium-3-sulfonamide CAS Name: 6-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]pyridin-1-ium-3-sulfonamide Traditional Name: 6-[[(R)-(4-propylphenyl)-(2-thienyl)methyl]amino]pyridin-1-ium-3-sulfonamide Formula: C19H22N3O2S2+ MolecularWeight: 388.52688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(C2=CC=CS2)NC3=[NH+]C=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CCCC1=CC=C(C=C1)[C@H](C2=CC=CS2)NC3=[NH+]C=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C19H21N3O2S2/c1-2-4-14-6-8-15(9-7-14)19(17-5-3-12-25-17)22-18-11-10-16(13-21-18)26(20,23)24/h3,5-13,19H,2,4H2,1H3,(H,21,22)(H2,20,23,24)/p+1/t19-/m1/s1