2-methyl-7-[(S)-(3-methylthiophen-2-yl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol

Systemtic Name: 2-methyl-7-[(S)-(3-methylthiophen-2-yl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Openeye Name: 2-methyl-7-[(S)-(3-methyl-2-thienyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol CAS Name: 2-methyl-7-[(S)-(3-methyl-2-thiophenyl)-(2-pyridin-1-iumylamino)methyl]-8-quinolinol IUPAC Name: 2-methyl-7-[(S)-(3-methylthiophen-2-yl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Traditional Name: 2-methyl-7-[(S)-(3-methyl-2-thienyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Formula: C21H20N3OS+ MolecularWeight: 362.468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(C2=C(C3=C(C=CC(=N3)C)C=C2)O)NC4=CC=CC=[NH+]4

Isomeric SMILES

CC1=C(SC=C1)[C@H](C2=C(C3=C(C=CC(=N3)C)C=C2)O)NC4=CC=CC=[NH+]4

InChI

InChI=1S/C21H19N3OS/c1-13-10-12-26-21(13)19(24-17-5-3-4-11-22-17)16-9-8-15-7-6-14(2)23-18(15)20(16)25/h3-12,19,25H,1-2H3,(H,22,24)/p+1/t19-/m0/s1