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

Systemtic Name: 7-[(R)-1,3-benzodioxol-5-yl-[(4-methylpyridin-1-ium-2-yl)amino]methyl]-2-methyl-quinolin-8-ol Openeye Name: 7-[(R)-1,3-benzodioxol-5-yl-[(4-methylpyridin-1-ium-2-yl)amino]methyl]-2-methyl-quinolin-8-ol CAS Name: 7-[(R)-1,3-benzodioxol-5-yl-[(4-methyl-2-pyridin-1-iumyl)amino]methyl]-2-methyl-8-quinolinol IUPAC Name: 7-[(R)-1,3-benzodioxol-5-yl-[(4-methylpyridin-1-ium-2-yl)amino]methyl]-2-methylquinolin-8-ol Traditional Name: 7-[(R)-1,3-benzodioxol-5-yl-[(4-methylpyridin-1-ium-2-yl)amino]methyl]-2-methyl-quinolin-8-ol Formula: C24H22N3O3+ MolecularWeight: 400.44978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C=C1)NC(C2=CC3=C(C=C2)OCO3)C4=C(C5=C(C=CC(=N5)C)C=C4)O

Isomeric SMILES

CC1=CC(=[NH+]C=C1)N[C@H](C2=CC3=C(C=C2)OCO3)C4=C(C5=C(C=CC(=N5)C)C=C4)O

InChI

InChI=1S/C24H21N3O3/c1-14-9-10-25-21(11-14)27-22(17-6-8-19-20(12-17)30-13-29-19)18-7-5-16-4-3-15(2)26-23(16)24(18)28/h3-12,22,28H,13H2,1-2H3,(H,25,27)/p+1/t22-/m1/s1