7-[(S)-(3-ethoxy-2-methoxy-phenyl)-[(4-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-8-ol

Systemtic Name: 7-[(S)-(3-ethoxy-2-methoxy-phenyl)-[(4-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-8-ol Openeye Name: 7-[(S)-(3-ethoxy-2-methoxy-phenyl)-[(4-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-8-ol CAS Name: 7-[(S)-(3-ethoxy-2-methoxyphenyl)-[(4-methyl-2-pyridin-1-iumyl)amino]methyl]-8-quinolinol IUPAC Name: 7-[(S)-(3-ethoxy-2-methoxyphenyl)-[(4-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-8-ol Traditional Name: 7-[(S)-(3-ethoxy-2-methoxy-phenyl)-[(4-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-8-ol Formula: C25H26N3O3+ MolecularWeight: 416.49224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1OC)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC4=[NH+]C=CC(=C4)C

Isomeric SMILES

CCOC1=CC=CC(=C1OC)[C@H](C2=C(C3=C(C=CC=N3)C=C2)O)NC4=[NH+]C=CC(=C4)C

InChI

InChI=1S/C25H25N3O3/c1-4-31-20-9-5-8-19(25(20)30-3)23(28-21-15-16(2)12-14-26-21)18-11-10-17-7-6-13-27-22(17)24(18)29/h5-15,23,29H,4H2,1-3H3,(H,26,28)/p+1/t23-/m0/s1