2-[[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]methyl]-8-methyl-1H-quinazolin-4-one

Systemtic Name: 2-[[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]methyl]-8-methyl-1H-quinazolin-4-one Openeye Name: 2-[[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-4-ium-1-yl]methyl]-8-methyl-1H-quinazolin-4-one CAS Name: 2-[[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazin-4-iumyl]methyl]-8-methyl-1H-quinazolin-4-one IUPAC Name: 2-[[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-4-ium-1-yl]methyl]-8-methyl-1H-quinazolin-4-one Traditional Name: 2-[[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazin-4-ium-1-yl]methyl]-8-methyl-1H-quinazolin-4-one Formula: C22H32N5O2+ MolecularWeight: 398.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)CN3CC[NH+](CC3)CC(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)CN3CC[NH+](CC3)CC(=O)N4CCCCCC4

InChI

InChI=1S/C22H31N5O2/c1-17-7-6-8-18-21(17)23-19(24-22(18)29)15-25-11-13-26(14-12-25)16-20(28)27-9-4-2-3-5-10-27/h6-8H,2-5,9-16H2,1H3,(H,23,24,29)/p+1