2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one

Systemtic Name: 2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one Openeye Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one CAS Name: 2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one IUPAC Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one Traditional Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one Formula: C26H29N4O+ MolecularWeight: 413.53466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C(=O)CCC2)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=NC(=NC2=C1C(=O)CCC2)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H28N4O/c1-19-24-22(13-8-14-23(24)31)28-26(27-19)30-17-15-29(16-18-30)25(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-12,25H,8,13-18H2,1H3/p+1