2-[3-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-3-methyl-quinazolin-4-one

Systemtic Name: 2-[3-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-3-methyl-quinazolin-4-one Openeye Name: 2-[3-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-4-ium-1-yl]-3-oxo-propyl]-3-methyl-quinazolin-4-one CAS Name: 2-[3-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazin-4-iumyl]-3-oxopropyl]-3-methyl-4-quinazolinone IUPAC Name: 2-[3-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-4-ium-1-yl]-3-oxopropyl]-3-methylquinazolin-4-one Traditional Name: 2-[3-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazin-4-ium-1-yl]-3-keto-propyl]-3-methyl-quinazolin-4-one Formula: C24H34N5O3+ MolecularWeight: 440.55846

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=CC=CC=C2C1=O)CCC(=O)N3CC[NH+](CC3)CC(=O)N4CCCCCC4

Isomeric SMILES

CN1C(=NC2=CC=CC=C2C1=O)CCC(=O)N3CC[NH+](CC3)CC(=O)N4CCCCCC4

InChI

InChI=1S/C24H33N5O3/c1-26-21(25-20-9-5-4-8-19(20)24(26)32)10-11-22(30)29-16-14-27(15-17-29)18-23(31)28-12-6-2-3-7-13-28/h4-5,8-9H,2-3,6-7,10-18H2,1H3/p+1