2-[4-oxidanylidene-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-yl]ethanamide

Systemtic Name: 2-[4-oxidanylidene-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-yl]ethanamide Openeye Name: 2-[4-oxo-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-yl]acetamide CAS Name: 2-[4-oxo-2-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-3-quinazolinyl]acetamide IUPAC Name: 2-[4-oxo-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-yl]acetamide Traditional Name: 2-[4-keto-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-yl]acetamide Formula: C20H24N6O2+2 MolecularWeight: 380.44356

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3C(=O)N2CC(=O)N)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3C(=O)N2CC(=O)N)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H22N6O2/c21-17(27)13-26-19(23-16-6-2-1-5-15(16)20(26)28)14-24-9-11-25(12-10-24)18-7-3-4-8-22-18/h1-8H,9-14H2,(H2,21,27)/p+2