7-[(S)-(3-bromophenyl)-(pyridin-1-ium-2-ylamino)methyl]-2-methyl-quinolin-8-ol

Systemtic Name: 7-[(S)-(3-bromophenyl)-(pyridin-1-ium-2-ylamino)methyl]-2-methyl-quinolin-8-ol Openeye Name: 7-[(S)-(3-bromophenyl)-(pyridin-1-ium-2-ylamino)methyl]-2-methyl-quinolin-8-ol CAS Name: 7-[(S)-(3-bromophenyl)-(2-pyridin-1-iumylamino)methyl]-2-methyl-8-quinolinol IUPAC Name: 7-[(S)-(3-bromophenyl)-(pyridin-1-ium-2-ylamino)methyl]-2-methylquinolin-8-ol Traditional Name: 7-[(S)-(3-bromophenyl)-(pyridin-1-ium-2-ylamino)methyl]-2-methyl-quinolin-8-ol Formula: C22H19BrN3O+ MolecularWeight: 421.30976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18BrN3O/c1-14-8-9-15-10-11-18(22(27)21(15)25-14)20(16-5-4-6-17(23)13-16)26-19-7-2-3-12-24-19/h2-13,20,27H,1H3,(H,24,26)/p+1/t20-/m0/s1