3-(1,4-diazepan-4-ium-1-ylcarbonyl)chromen-2-one

Systemtic Name: 3-(1,4-diazepan-4-ium-1-ylcarbonyl)chromen-2-one Openeye Name: 3-(1,4-diazepan-4-ium-1-carbonyl)chromen-2-one CAS Name: 3-[1,4-diazepan-4-ium-1-yl(oxo)methyl]-1-benzopyran-2-one IUPAC Name: 3-(1,4-diazepan-4-ium-1-carbonyl)chromen-2-one Traditional Name: 3-(1,4-diazepan-4-ium-1-carbonyl)coumarin Formula: C15H17N2O3+ MolecularWeight: 273.30708

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C(=O)C2=CC3=CC=CC=C3OC2=O

Isomeric SMILES

C1C[NH2+]CCN(C1)C(=O)C2=CC3=CC=CC=C3OC2=O

InChI

InChI=1S/C15H16N2O3/c18-14(17-8-3-6-16-7-9-17)12-10-11-4-1-2-5-13(11)20-15(12)19/h1-2,4-5,10,16H,3,6-9H2/p+1