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

Systemtic Name: 7-[(S)-(2,4-dichlorophenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Openeye Name: 7-[(S)-(2,4-dichlorophenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol CAS Name: 7-[(S)-(2,4-dichlorophenyl)-(2-pyridin-1-iumylamino)methyl]-8-quinolinol IUPAC Name: 7-[(S)-(2,4-dichlorophenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Traditional Name: 7-[(S)-(2,4-dichlorophenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Formula: C21H16Cl2N3O+ MolecularWeight: 397.27724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[NH+]C(=C1)NC(C2=C(C=C(C=C2)Cl)Cl)C3=C(C4=C(C=CC=N4)C=C3)O

Isomeric SMILES

C1=CC=[NH+]C(=C1)N[C@H](C2=C(C=C(C=C2)Cl)Cl)C3=C(C4=C(C=CC=N4)C=C3)O

InChI

InChI=1S/C21H15Cl2N3O/c22-14-7-9-15(17(23)12-14)20(26-18-5-1-2-10-24-18)16-8-6-13-4-3-11-25-19(13)21(16)27/h1-12,20,27H,(H,24,26)/p+1/t20-/m1/s1