4-[(7-chloranylquinolin-4-yl)amino]-2-[(1-oxidanidylpyrrolidin-1-ium-1-yl)methyl]phenol

Systemtic Name: 4-[(7-chloranylquinolin-4-yl)amino]-2-[(1-oxidanidylpyrrolidin-1-ium-1-yl)methyl]phenol Openeye Name: 4-[(7-chloro-4-quinolyl)amino]-2-[(1-oxidopyrrolidin-1-ium-1-yl)methyl]phenol CAS Name: 4-[(7-chloro-4-quinolinyl)amino]-2-[(1-oxido-1-pyrrolidin-1-iumyl)methyl]phenol IUPAC Name: 4-[(7-chloroquinolin-4-yl)amino]-2-[(1-oxidopyrrolidin-1-ium-1-yl)methyl]phenol Traditional Name: 4-[(7-chloro-4-quinolyl)amino]-2-[(1-oxidopyrrolidin-1-ium-1-yl)methyl]phenol Formula: C20H20ClN3O2 MolecularWeight: 369.8447

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](C1)(CC2=C(C=CC(=C2)NC3=C4C=CC(=CC4=NC=C3)Cl)O)[O-]

Isomeric SMILES

C1CC[N+](C1)(CC2=C(C=CC(=C2)NC3=C4C=CC(=CC4=NC=C3)Cl)O)[O-]

InChI

InChI=1S/C20H20ClN3O2/c21-15-3-5-17-18(7-8-22-19(17)12-15)23-16-4-6-20(25)14(11-16)13-24(26)9-1-2-10-24/h3-8,11-12,25H,1-2,9-10,13H2,(H,22,23)