2-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(o-tolylmethyl)-1,4-diazepan-4-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-(2-methylbenzyl)-1,4-diazepan-4-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C22H27N4O+ MolecularWeight: 363.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCCN(CC2)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCCN(CC2)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C22H26N4O/c1-17-7-2-3-8-18(17)15-25-11-6-12-26(14-13-25)16-21-23-20-10-5-4-9-19(20)22(27)24-21/h2-5,7-10H,6,11-16H2,1H3,(H,23,24,27)/p+1