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

Systemtic Name: 2-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-8-methyl-1H-quinazolin-4-one Openeye Name: 2-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-8-methyl-1H-quinazolin-4-one CAS Name: 2-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]-8-methyl-1H-quinazolin-4-one IUPAC Name: 2-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-8-methyl-1H-quinazolin-4-one Traditional Name: 2-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-8-methyl-1H-quinazolin-4-one Formula: C27H29N4O+ MolecularWeight: 425.54536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H28N4O/c1-20-9-8-14-23-25(20)28-24(29-27(23)32)19-30-15-17-31(18-16-30)26(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-14,26H,15-19H2,1H3,(H,28,29,32)/p+1