7-[[(4-methylpyridin-1-ium-2-yl)amino]-(5-methylthiophen-2-yl)methyl]quinolin-1-ium-8-ol

Systemtic Name: 7-[[(4-methylpyridin-1-ium-2-yl)amino]-(5-methylthiophen-2-yl)methyl]quinolin-1-ium-8-ol Openeye Name: 7-[[(4-methylpyridin-1-ium-2-yl)amino]-(5-methyl-2-thienyl)methyl]quinolin-1-ium-8-ol CAS Name: 7-[[(4-methyl-2-pyridin-1-iumyl)amino]-(5-methyl-2-thiophenyl)methyl]-8-quinolin-1-iumol IUPAC Name: 7-[[(4-methylpyridin-1-ium-2-yl)amino]-(5-methylthiophen-2-yl)methyl]quinolin-1-ium-8-ol Traditional Name: 7-[[(4-methylpyridin-1-ium-2-yl)amino]-(5-methyl-2-thienyl)methyl]quinolin-1-ium-8-ol Formula: C21H21N3OS+2 MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C=C1)NC(C2=C(C3=C(C=CC=[NH+]3)C=C2)O)C4=CC=C(S4)C

Isomeric SMILES

CC1=CC(=[NH+]C=C1)NC(C2=C(C3=C(C=CC=[NH+]3)C=C2)O)C4=CC=C(S4)C

InChI

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