7-[(S)-1,3-benzodioxol-5-yl-(pyridin-1-ium-2-ylamino)methyl]-2-methyl-quinolin-8-ol

Systemtic Name: 7-[(S)-1,3-benzodioxol-5-yl-(pyridin-1-ium-2-ylamino)methyl]-2-methyl-quinolin-8-ol Openeye Name: 7-[(S)-1,3-benzodioxol-5-yl-(pyridin-1-ium-2-ylamino)methyl]-2-methyl-quinolin-8-ol CAS Name: 7-[(S)-1,3-benzodioxol-5-yl-(2-pyridin-1-iumylamino)methyl]-2-methyl-8-quinolinol IUPAC Name: 7-[(S)-1,3-benzodioxol-5-yl-(pyridin-1-ium-2-ylamino)methyl]-2-methylquinolin-8-ol Traditional Name: 7-[(S)-1,3-benzodioxol-5-yl-(pyridin-1-ium-2-ylamino)methyl]-2-methyl-quinolin-8-ol Formula: C23H20N3O3+ MolecularWeight: 386.4232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C=CC(=C2O)C(C3=CC4=C(C=C3)OCO4)NC5=CC=CC=[NH+]5

Isomeric SMILES

CC1=NC2=C(C=C1)C=CC(=C2O)[C@H](C3=CC4=C(C=C3)OCO4)NC5=CC=CC=[NH+]5

InChI

InChI=1S/C23H19N3O3/c1-14-5-6-15-7-9-17(23(27)22(15)25-14)21(26-20-4-2-3-11-24-20)16-8-10-18-19(12-16)29-13-28-18/h2-12,21,27H,13H2,1H3,(H,24,26)/p+1/t21-/m0/s1