2-methyl-7-[(R)-(pyridin-1-ium-2-ylamino)-thiophen-2-yl-methyl]quinolin-8-ol

Systemtic Name: 2-methyl-7-[(R)-(pyridin-1-ium-2-ylamino)-thiophen-2-yl-methyl]quinolin-8-ol Openeye Name: 2-methyl-7-[(R)-(pyridin-1-ium-2-ylamino)-(2-thienyl)methyl]quinolin-8-ol CAS Name: 2-methyl-7-[(R)-(2-pyridin-1-iumylamino)-thiophen-2-ylmethyl]-8-quinolinol IUPAC Name: 2-methyl-7-[(R)-(pyridin-1-ium-2-ylamino)-thiophen-2-ylmethyl]quinolin-8-ol Traditional Name: 2-methyl-7-[(R)-(pyridin-1-ium-2-ylamino)-(2-thienyl)methyl]quinolin-8-ol Formula: C20H18N3OS+ MolecularWeight: 348.44142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C=CC(=C2O)C(C3=CC=CS3)NC4=CC=CC=[NH+]4

Isomeric SMILES

CC1=NC2=C(C=C1)C=CC(=C2O)[C@H](C3=CC=CS3)NC4=CC=CC=[NH+]4

InChI

InChI=1S/C20H17N3OS/c1-13-7-8-14-9-10-15(20(24)18(14)22-13)19(16-5-4-12-25-16)23-17-6-2-3-11-21-17/h2-12,19,24H,1H3,(H,21,23)/p+1/t19-/m1/s1