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

Systemtic Name: 7-[(S)-(2-hydroxyphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Openeye Name: 7-[(S)-(2-hydroxyphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol CAS Name: 7-[(S)-(2-hydroxyphenyl)-(2-pyridin-1-iumylamino)methyl]-8-quinolinol IUPAC Name: 7-[(S)-(2-hydroxyphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Traditional Name: 7-[(S)-(2-hydroxyphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Formula: C21H18N3O2+ MolecularWeight: 344.38652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC4=CC=CC=[NH+]4)O

Isomeric SMILES

C1=CC=C(C(=C1)[C@@H](C2=C(C3=C(C=CC=N3)C=C2)O)NC4=CC=CC=[NH+]4)O

InChI

InChI=1S/C21H17N3O2/c25-17-8-2-1-7-15(17)20(24-18-9-3-4-12-22-18)16-11-10-14-6-5-13-23-19(14)21(16)26/h1-13,20,25-26H,(H,22,24)/p+1/t20-/m0/s1