2-[[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazine-1,4-diium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazine-1,4-diium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazine-1,4-diium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazine-1,4-diiumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-[2-(azepan-1-yl)-2-oxoethyl]piperazine-1,4-diium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazine-1,4-diium-1-yl]methyl]-1H-quinazolin-4-one Formula: C21H31N5O2+2 MolecularWeight: 385.50314

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C[NH+]2CC[NH+](CC2)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1CCCN(CC1)C(=O)C[NH+]2CC[NH+](CC2)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H29N5O2/c27-20(26-9-5-1-2-6-10-26)16-25-13-11-24(12-14-25)15-19-22-18-8-4-3-7-17(18)21(28)23-19/h3-4,7-8H,1-2,5-6,9-16H2,(H,22,23,28)/p+2