5-chloranyl-7-[pyridin-2-yl(pyrrolidin-1-ium-1-yl)methyl]quinolin-1-ium-8-ol

Systemtic Name: 5-chloranyl-7-[pyridin-2-yl(pyrrolidin-1-ium-1-yl)methyl]quinolin-1-ium-8-ol Openeye Name: 5-chloro-7-[2-pyridyl(pyrrolidin-1-ium-1-yl)methyl]quinolin-1-ium-8-ol CAS Name: 5-chloro-7-[2-pyridinyl(1-pyrrolidin-1-iumyl)methyl]-8-quinolin-1-iumol IUPAC Name: 5-chloro-7-[pyridin-2-yl(pyrrolidin-1-ium-1-yl)methyl]quinolin-1-ium-8-ol Traditional Name: 5-chloro-7-[2-pyridyl(pyrrolidin-1-ium-1-yl)methyl]quinolin-1-ium-8-ol Formula: C19H20ClN3O+2 MolecularWeight: 341.8346

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(C2=CC=CC=N2)C3=CC(=C4C=CC=[NH+]C4=C3O)Cl

Isomeric SMILES

C1CC[NH+](C1)C(C2=CC=CC=N2)C3=CC(=C4C=CC=[NH+]C4=C3O)Cl

InChI

InChI=1S/C19H18ClN3O/c20-15-12-14(19(24)17-13(15)6-5-9-22-17)18(23-10-3-4-11-23)16-7-1-2-8-21-16/h1-2,5-9,12,18,24H,3-4,10-11H2/p+2