7-[(S)-(2-hydroxyphenyl)-(pyridin-1-ium-2-ylamino)methyl]-2-methyl-quinolin-8-ol

Systemtic Name: 7-[(S)-(2-hydroxyphenyl)-(pyridin-1-ium-2-ylamino)methyl]-2-methyl-quinolin-8-ol Openeye Name: 7-[(S)-(2-hydroxyphenyl)-(pyridin-1-ium-2-ylamino)methyl]-2-methyl-quinolin-8-ol CAS Name: 7-[(S)-(2-hydroxyphenyl)-(2-pyridin-1-iumylamino)methyl]-2-methyl-8-quinolinol IUPAC Name: 7-[(S)-(2-hydroxyphenyl)-(pyridin-1-ium-2-ylamino)methyl]-2-methylquinolin-8-ol Traditional Name: 7-[(S)-(2-hydroxyphenyl)-(pyridin-1-ium-2-ylamino)methyl]-2-methyl-quinolin-8-ol Formula: C22H20N3O2+ MolecularWeight: 358.4131

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C=CC(=C2O)C(C3=CC=CC=C3O)NC4=CC=CC=[NH+]4

Isomeric SMILES

CC1=NC2=C(C=C1)C=CC(=C2O)[C@H](C3=CC=CC=C3O)NC4=CC=CC=[NH+]4

InChI

InChI=1S/C22H19N3O2/c1-14-9-10-15-11-12-17(22(27)20(15)24-14)21(16-6-2-3-7-18(16)26)25-19-8-4-5-13-23-19/h2-13,21,26-27H,1H3,(H,23,25)/p+1/t21-/m0/s1