2-[[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazine-1,4-diium-1-yl]methyl]-6-chloranyl-1H-quinazolin-4-one

Systemtic Name: 2-[[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazine-1,4-diium-1-yl]methyl]-6-chloranyl-1H-quinazolin-4-one Openeye Name: 2-[[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazine-1,4-diium-1-yl]methyl]-6-chloro-1H-quinazolin-4-one CAS Name: 2-[[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazine-1,4-diiumyl]methyl]-6-chloro-1H-quinazolin-4-one IUPAC Name: 2-[[4-[2-(azepan-1-yl)-2-oxoethyl]piperazine-1,4-diium-1-yl]methyl]-6-chloro-1H-quinazolin-4-one Traditional Name: 2-[[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazine-1,4-diium-1-yl]methyl]-6-chloro-1H-quinazolin-4-one Formula: C21H30ClN5O2+2 MolecularWeight: 419.9482

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C[NH+]2CC[NH+](CC2)CC3=NC(=O)C4=C(N3)C=CC(=C4)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)C[NH+]2CC[NH+](CC2)CC3=NC(=O)C4=C(N3)C=CC(=C4)Cl

InChI

InChI=1S/C21H28ClN5O2/c22-16-5-6-18-17(13-16)21(29)24-19(23-18)14-25-9-11-26(12-10-25)15-20(28)27-7-3-1-2-4-8-27/h5-6,13H,1-4,7-12,14-15H2,(H,23,24,29)/p+2