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

Systemtic Name: 7-[(4-ethylphenyl)-[(4-methylpyridin-2-yl)amino]methyl]-2-methyl-quinolin-1-ium-8-ol Openeye Name: 7-[(4-ethylphenyl)-[(4-methyl-2-pyridyl)amino]methyl]-2-methyl-quinolin-1-ium-8-ol CAS Name: 7-[(4-ethylphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methyl-8-quinolin-1-iumol IUPAC Name: 7-[(4-ethylphenyl)-[(4-methylpyridin-2-yl)amino]methyl]-2-methylquinolin-1-ium-8-ol Traditional Name: 7-[(4-ethylphenyl)-[(4-methyl-2-pyridyl)amino]methyl]-2-methyl-quinolin-1-ium-8-ol Formula: C25H26N3O+ MolecularWeight: 384.49344

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=C(C3=C(C=CC(=[NH+]3)C)C=C2)O)NC4=NC=CC(=C4)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(C2=C(C3=C(C=CC(=[NH+]3)C)C=C2)O)NC4=NC=CC(=C4)C

InChI

InChI=1S/C25H25N3O/c1-4-18-6-9-19(10-7-18)23(28-22-15-16(2)13-14-26-22)21-12-11-20-8-5-17(3)27-24(20)25(21)29/h5-15,23,29H,4H2,1-3H3,(H,26,28)/p+1