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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]azanium Traditional Name: cyclopentyl-[(4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-piperonyl-ammonium Formula: C23H27N3O3+2 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)C[NH+](CC3=CC4=C(C=C3)OCO4)C5CCCC5

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)C[NH+](CC3=CC4=C(C=C3)OCO4)C5CCCC5

InChI

InChI=1S/C23H25N3O3/c1-16-6-9-22-24-18(11-23(27)26(22)12-16)14-25(19-4-2-3-5-19)13-17-7-8-20-21(10-17)29-15-28-20/h6-12,19H,2-5,13-15H2,1H3/p+2