7-[(S)-(3,4-dichlorophenyl)-(pyridin-1-ium-2-ylamino)methyl]-2-methyl-quinolin-8-ol

Systemtic Name: 7-[(S)-(3,4-dichlorophenyl)-(pyridin-1-ium-2-ylamino)methyl]-2-methyl-quinolin-8-ol Openeye Name: 7-[(S)-(3,4-dichlorophenyl)-(pyridin-1-ium-2-ylamino)methyl]-2-methyl-quinolin-8-ol CAS Name: 7-[(S)-(3,4-dichlorophenyl)-(2-pyridin-1-iumylamino)methyl]-2-methyl-8-quinolinol IUPAC Name: 7-[(S)-(3,4-dichlorophenyl)-(pyridin-1-ium-2-ylamino)methyl]-2-methylquinolin-8-ol Traditional Name: 7-[(S)-(3,4-dichlorophenyl)-(pyridin-1-ium-2-ylamino)methyl]-2-methyl-quinolin-8-ol Formula: C22H18Cl2N3O+ MolecularWeight: 411.30382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17Cl2N3O/c1-13-5-6-14-7-9-16(22(28)21(14)26-13)20(27-19-4-2-3-11-25-19)15-8-10-17(23)18(24)12-15/h2-12,20,28H,1H3,(H,25,27)/p+1/t20-/m0/s1