2-methyl-7-[(S)-[(6-methylpyridin-1-ium-2-yl)amino]-thiophen-3-yl-methyl]quinolin-8-ol

Systemtic Name: 2-methyl-7-[(S)-[(6-methylpyridin-1-ium-2-yl)amino]-thiophen-3-yl-methyl]quinolin-8-ol Openeye Name: 2-methyl-7-[(S)-[(6-methylpyridin-1-ium-2-yl)amino]-(3-thienyl)methyl]quinolin-8-ol CAS Name: 2-methyl-7-[(S)-[(6-methyl-2-pyridin-1-iumyl)amino]-(3-thiophenyl)methyl]-8-quinolinol IUPAC Name: 2-methyl-7-[(S)-[(6-methylpyridin-1-ium-2-yl)amino]-thiophen-3-ylmethyl]quinolin-8-ol Traditional Name: 2-methyl-7-[(S)-[(6-methylpyridin-1-ium-2-yl)amino]-(3-thienyl)methyl]quinolin-8-ol Formula: C21H20N3OS+ MolecularWeight: 362.468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C(=CC=C1)NC(C2=CSC=C2)C3=C(C4=C(C=CC(=N4)C)C=C3)O

Isomeric SMILES

CC1=[NH+]C(=CC=C1)N[C@H](C2=CSC=C2)C3=C(C4=C(C=CC(=N4)C)C=C3)O

InChI

InChI=1S/C21H19N3OS/c1-13-4-3-5-18(22-13)24-19(16-10-11-26-12-16)17-9-8-15-7-6-14(2)23-20(15)21(17)25/h3-12,19,25H,1-2H3,(H,22,24)/p+1/t19-/m1/s1