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

Systemtic Name: 7-[[(4-methylpyridin-2-yl)amino]-(4-propan-2-yloxyphenyl)methyl]quinolin-1-ium-8-ol Openeye Name: 7-[(4-isopropoxyphenyl)-[(4-methyl-2-pyridyl)amino]methyl]quinolin-1-ium-8-ol CAS Name: 7-[[(4-methyl-2-pyridinyl)amino]-(4-propan-2-yloxyphenyl)methyl]-8-quinolin-1-iumol IUPAC Name: 7-[[(4-methylpyridin-2-yl)amino]-(4-propan-2-yloxyphenyl)methyl]quinolin-1-ium-8-ol Traditional Name: 7-[(4-isopropoxyphenyl)-[(4-methyl-2-pyridyl)amino]methyl]quinolin-1-ium-8-ol Formula: C25H26N3O2+ MolecularWeight: 400.49284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O2/c1-16(2)30-20-9-6-19(7-10-20)23(28-22-15-17(3)12-14-26-22)21-11-8-18-5-4-13-27-24(18)25(21)29/h4-16,23,29H,1-3H3,(H,26,28)/p+1