7-[[(4-methylpyridin-2-yl)amino]-thiophen-3-yl-methyl]quinolin-1-ium-8-ol

Systemtic Name: 7-[[(4-methylpyridin-2-yl)amino]-thiophen-3-yl-methyl]quinolin-1-ium-8-ol Openeye Name: 7-[[(4-methyl-2-pyridyl)amino]-(3-thienyl)methyl]quinolin-1-ium-8-ol CAS Name: 7-[[(4-methyl-2-pyridinyl)amino]-(3-thiophenyl)methyl]-8-quinolin-1-iumol IUPAC Name: 7-[[(4-methylpyridin-2-yl)amino]-thiophen-3-ylmethyl]quinolin-1-ium-8-ol Traditional Name: 7-[[(4-methyl-2-pyridyl)amino]-(3-thienyl)methyl]quinolin-1-ium-8-ol Formula: C20H18N3OS+ MolecularWeight: 348.44142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)NC(C2=CSC=C2)C3=C(C4=C(C=CC=[NH+]4)C=C3)O

Isomeric SMILES

CC1=CC(=NC=C1)NC(C2=CSC=C2)C3=C(C4=C(C=CC=[NH+]4)C=C3)O

InChI

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