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

Systemtic Name: 2-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]carbonyl]chromen-4-one Openeye Name: 2-[4-(o-tolylmethyl)-1,4-diazepan-4-ium-1-carbonyl]chromen-4-one CAS Name: 2-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-oxomethyl]-1-benzopyran-4-one IUPAC Name: 2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-4-ium-1-carbonyl]chromen-4-one Traditional Name: 2-[4-(2-methylbenzyl)-1,4-diazepan-4-ium-1-carbonyl]chromone Formula: C23H25N2O3+ MolecularWeight: 377.4562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCCN(CC2)C(=O)C3=CC(=O)C4=CC=CC=C4O3

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCCN(CC2)C(=O)C3=CC(=O)C4=CC=CC=C4O3

InChI

InChI=1S/C23H24N2O3/c1-17-7-2-3-8-18(17)16-24-11-6-12-25(14-13-24)23(27)22-15-20(26)19-9-4-5-10-21(19)28-22/h2-5,7-10,15H,6,11-14,16H2,1H3/p+1