8-methyl-3-[4-oxidanylidene-4-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]butyl]quinazolin-4-one

Systemtic Name: 8-methyl-3-[4-oxidanylidene-4-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]butyl]quinazolin-4-one Openeye Name: 3-[4-(4-benzyl-1,4-diazepan-4-ium-1-yl)-4-oxo-butyl]-8-methyl-quinazolin-4-one CAS Name: 8-methyl-3-[4-oxo-4-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]butyl]-4-quinazolinone IUPAC Name: 3-[4-(4-benzyl-1,4-diazepan-4-ium-1-yl)-4-oxobutyl]-8-methylquinazolin-4-one Traditional Name: 3-[4-(4-benzyl-1,4-diazepan-4-ium-1-yl)-4-keto-butyl]-8-methyl-quinazolin-4-one Formula: C25H31N4O2+ MolecularWeight: 419.53924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=CN(C2=O)CCCC(=O)N3CCC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC2=C1N=CN(C2=O)CCCC(=O)N3CCC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O2/c1-20-8-5-11-22-24(20)26-19-29(25(22)31)14-6-12-23(30)28-15-7-13-27(16-17-28)18-21-9-3-2-4-10-21/h2-5,8-11,19H,6-7,12-18H2,1H3/p+1