7-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one

Systemtic Name: 7-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one Openeye Name: 7-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one CAS Name: 7-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethoxy]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one IUPAC Name: 7-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one Traditional Name: 7-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethoxy]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one Formula: C22H24N5O3+ MolecularWeight: 406.45766

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=NC3=C(C=C(C=C3)OCC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5)C(=O)N2C1

Isomeric SMILES

C1CC2=NC3=C(C=C(C=C3)OCC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5)C(=O)N2C1

InChI

InChI=1S/C22H23N5O3/c28-21(26-12-10-25(11-13-26)19-4-1-2-8-23-19)15-30-16-6-7-18-17(14-16)22(29)27-9-3-5-20(27)24-18/h1-2,4,6-8,14H,3,5,9-13,15H2/p+1