6,7-dimethoxy-3-[3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]quinazolin-4-one

Systemtic Name: 6,7-dimethoxy-3-[3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]quinazolin-4-one Openeye Name: 6,7-dimethoxy-3-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]quinazolin-4-one CAS Name: 6,7-dimethoxy-3-[3-oxo-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]propyl]-4-quinazolinone IUPAC Name: 6,7-dimethoxy-3-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]quinazolin-4-one Traditional Name: 3-[3-keto-3-(4-pyridin-1-ium-2-ylpiperazino)propyl]-6,7-dimethoxy-quinazolin-4-one Formula: C22H26N5O4+ MolecularWeight: 424.47294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C=N2)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C=N2)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)OC

InChI

InChI=1S/C22H25N5O4/c1-30-18-13-16-17(14-19(18)31-2)24-15-27(22(16)29)8-6-21(28)26-11-9-25(10-12-26)20-5-3-4-7-23-20/h3-5,7,13-15H,6,8-12H2,1-2H3/p+1