7-[(S)-(5-methylthiophen-2-yl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol

Systemtic Name: 7-[(S)-(5-methylthiophen-2-yl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Openeye Name: 7-[(S)-(5-methyl-2-thienyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol CAS Name: 7-[(S)-(5-methyl-2-thiophenyl)-(2-pyridin-1-iumylamino)methyl]-8-quinolinol IUPAC Name: 7-[(S)-(5-methylthiophen-2-yl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Traditional Name: 7-[(S)-(5-methyl-2-thienyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Formula: C20H18N3OS+ MolecularWeight: 348.44142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC4=CC=CC=[NH+]4

Isomeric SMILES

CC1=CC=C(S1)[C@H](C2=C(C3=C(C=CC=N3)C=C2)O)NC4=CC=CC=[NH+]4

InChI

InChI=1S/C20H17N3OS/c1-13-7-10-16(25-13)19(23-17-6-2-3-11-21-17)15-9-8-14-5-4-12-22-18(14)20(15)24/h2-12,19,24H,1H3,(H,21,23)/p+1/t19-/m0/s1