8-methyl-7-oxidanyl-4-[[4-(phenylcarbonyl)-1,4-diazepan-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 8-methyl-7-oxidanyl-4-[[4-(phenylcarbonyl)-1,4-diazepan-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 4-[(4-benzoyl-1,4-diazepan-1-ium-1-yl)methyl]-7-hydroxy-8-methyl-chromen-2-one CAS Name: 4-[(4-benzoyl-1,4-diazepan-1-ium-1-yl)methyl]-7-hydroxy-8-methyl-1-benzopyran-2-one IUPAC Name: 4-[(4-benzoyl-1,4-diazepan-1-ium-1-yl)methyl]-7-hydroxy-8-methylchromen-2-one Traditional Name: 4-[(4-benzoyl-1,4-diazepan-1-ium-1-yl)methyl]-7-hydroxy-8-methyl-coumarin Formula: C23H25N2O4+ MolecularWeight: 393.4556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+]3CCCN(CC3)C(=O)C4=CC=CC=C4)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+]3CCCN(CC3)C(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C23H24N2O4/c1-16-20(26)9-8-19-18(14-21(27)29-22(16)19)15-24-10-5-11-25(13-12-24)23(28)17-6-3-2-4-7-17/h2-4,6-9,14,26H,5,10-13,15H2,1H3/p+1