1,3-benzodioxol-5-ylmethyl-[(7-chloranyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-cyclopentyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(7-chloranyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-cyclopentyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(7-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-cyclopentyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(7-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-cyclopentylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(7-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-cyclopentylazanium Traditional Name: (7-chloro-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl-cyclopentyl-piperonyl-ammonium Formula: C22H24ClN3O3+2 MolecularWeight: 413.89726

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+](CC2=CC3=C(C=C2)OCO3)CC4=CC(=O)[N+]5=C(N4)C=CC(=C5)Cl

Isomeric SMILES

C1CCC(C1)[NH+](CC2=CC3=C(C=C2)OCO3)CC4=CC(=O)[N+]5=C(N4)C=CC(=C5)Cl

InChI

InChI=1S/C22H22ClN3O3/c23-16-6-8-21-24-17(10-22(27)26(21)12-16)13-25(18-3-1-2-4-18)11-15-5-7-19-20(9-15)29-14-28-19/h5-10,12,18H,1-4,11,13-14H2/p+2