7-[[(4-chlorophenyl)amino]-pyridin-1-ium-2-yl-methyl]quinolin-1-ium-8-ol

Systemtic Name: 7-[[(4-chlorophenyl)amino]-pyridin-1-ium-2-yl-methyl]quinolin-1-ium-8-ol Openeye Name: 7-[(4-chloroanilino)-pyridin-1-ium-2-yl-methyl]quinolin-1-ium-8-ol CAS Name: 7-[(4-chloroanilino)-(2-pyridin-1-iumyl)methyl]-8-quinolin-1-iumol IUPAC Name: 7-[(4-chloroanilino)-pyridin-1-ium-2-ylmethyl]quinolin-1-ium-8-ol Traditional Name: 7-[(4-chloroanilino)-pyridin-1-ium-2-yl-methyl]quinolin-1-ium-8-ol Formula: C21H18ClN3O+2 MolecularWeight: 363.84012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[NH+]C(=C1)C(C2=C(C3=C(C=CC=[NH+]3)C=C2)O)NC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=[NH+]C(=C1)C(C2=C(C3=C(C=CC=[NH+]3)C=C2)O)NC4=CC=C(C=C4)Cl

InChI

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