2-methyl-4-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]carbonyl]phthalazin-1-one

Systemtic Name: 2-methyl-4-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]carbonyl]phthalazin-1-one Openeye Name: 2-methyl-4-[4-(p-tolylmethyl)-1,4-diazepan-4-ium-1-carbonyl]phthalazin-1-one CAS Name: 2-methyl-4-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-oxomethyl]-1-phthalazinone IUPAC Name: 2-methyl-4-[4-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium-1-carbonyl]phthalazin-1-one Traditional Name: 2-methyl-4-[4-(4-methylbenzyl)-1,4-diazepan-4-ium-1-carbonyl]phthalazin-1-one Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C23H26N4O2/c1-17-8-10-18(11-9-17)16-26-12-5-13-27(15-14-26)23(29)21-19-6-3-4-7-20(19)22(28)25(2)24-21/h3-4,6-11H,5,12-16H2,1-2H3/p+1