7-[1,3-benzodioxol-5-yl-[(4-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-1-ium-8-ol

Systemtic Name: 7-[1,3-benzodioxol-5-yl-[(4-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-1-ium-8-ol Openeye Name: 7-[1,3-benzodioxol-5-yl-[(4-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-1-ium-8-ol CAS Name: 7-[1,3-benzodioxol-5-yl-[(4-methyl-2-pyridin-1-iumyl)amino]methyl]-8-quinolin-1-iumol IUPAC Name: 7-[1,3-benzodioxol-5-yl-[(4-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-1-ium-8-ol Traditional Name: 7-[1,3-benzodioxol-5-yl-[(4-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-1-ium-8-ol Formula: C23H21N3O3+2 MolecularWeight: 387.43114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C=C1)NC(C2=CC3=C(C=C2)OCO3)C4=C(C5=C(C=CC=[NH+]5)C=C4)O

Isomeric SMILES

CC1=CC(=[NH+]C=C1)NC(C2=CC3=C(C=C2)OCO3)C4=C(C5=C(C=CC=[NH+]5)C=C4)O

InChI

InChI=1S/C23H19N3O3/c1-14-8-10-24-20(11-14)26-21(16-5-7-18-19(12-16)29-13-28-18)17-6-4-15-3-2-9-25-22(15)23(17)27/h2-12,21,27H,13H2,1H3,(H,24,26)/p+2