7-[[(3-chlorophenyl)amino]-pyridin-4-yl-methyl]quinolin-1-ium-8-ol

Systemtic Name: 7-[[(3-chlorophenyl)amino]-pyridin-4-yl-methyl]quinolin-1-ium-8-ol Openeye Name: 7-[(3-chloroanilino)-(4-pyridyl)methyl]quinolin-1-ium-8-ol CAS Name: 7-[(3-chloroanilino)-pyridin-4-ylmethyl]-8-quinolin-1-iumol IUPAC Name: 7-[(3-chloroanilino)-pyridin-4-ylmethyl]quinolin-1-ium-8-ol Traditional Name: 7-[(3-chloroanilino)-(4-pyridyl)methyl]quinolin-1-ium-8-ol Formula: C21H17ClN3O+ MolecularWeight: 362.83218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)NC(C2=CC=NC=C2)C3=C(C4=C(C=CC=[NH+]4)C=C3)O

Isomeric SMILES

C1=CC(=CC(=C1)Cl)NC(C2=CC=NC=C2)C3=C(C4=C(C=CC=[NH+]4)C=C3)O

InChI

InChI=1S/C21H16ClN3O/c22-16-4-1-5-17(13-16)25-19(15-8-11-23-12-9-15)18-7-6-14-3-2-10-24-20(14)21(18)26/h1-13,19,25-26H/p+1