7-chloranyl-10-oxidanidyl-1-pyrrolidin-1-yl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-acridin-10-ium-2-one hydrate

Systemtic Name: 7-chloranyl-10-oxidanidyl-1-pyrrolidin-1-yl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-acridin-10-ium-2-one hydrate Openeye Name: 7-chloro-10-oxido-1-pyrrolidin-1-yl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-acridin-10-ium-2-one hydrate CAS Name: 7-chloro-10-oxido-1-(1-pyrrolidinyl)-3-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-acridin-10-ium-2-one hydrate IUPAC Name: 7-chloro-10-oxido-1-pyrrolidin-1-yl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-acridin-10-ium-2-one hydrate Traditional Name: 7-chloro-10-oxido-1-pyrrolidino-3-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-acridin-10-ium-2-one hydrate Formula: C24H22ClF3N2O3 MolecularWeight: 478.89129

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2C3=C(CC(C2=O)C4=CC=C(C=C4)C(F)(F)F)[N+](=C5C=CC(=CC5=C3)Cl)[O-].O

Isomeric SMILES

C1CCN(C1)C2C3=C(CC(C2=O)C4=CC=C(C=C4)C(F)(F)F)[N+](=C5C=CC(=CC5=C3)Cl)[O-].O

InChI

InChI=1S/C24H20ClF3N2O2.H2O/c25-17-7-8-20-15(11-17)12-19-21(30(20)32)13-18(23(31)22(19)29-9-1-2-10-29)14-3-5-16(6-4-14)24(26,27)28;/h3-8,11-12,18,22H,1-2,9-10,13H2;1H2