6,7-dimethoxy-2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-1H-quinazolin-4-one

Systemtic Name: 6,7-dimethoxy-2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-1H-quinazolin-4-one Openeye Name: 6,7-dimethoxy-2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-1H-quinazolin-4-one CAS Name: 6,7-dimethoxy-2-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-1H-quinazolin-4-one IUPAC Name: 6,7-dimethoxy-2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-1H-quinazolin-4-one Traditional Name: 6,7-dimethoxy-2-[(4-pyridin-1-ium-2-ylpiperazino)methyl]-1H-quinazolin-4-one Formula: C20H24N5O3+ MolecularWeight: 382.43626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CN3CCN(CC3)C4=CC=CC=[NH+]4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CN3CCN(CC3)C4=CC=CC=[NH+]4)OC

InChI

InChI=1S/C20H23N5O3/c1-27-16-11-14-15(12-17(16)28-2)22-18(23-20(14)26)13-24-7-9-25(10-8-24)19-5-3-4-6-21-19/h3-6,11-12H,7-10,13H2,1-2H3,(H,22,23,26)/p+1