7-methoxy-4-[(4-methyl-1,4-diazepane-1,4-diium-1-yl)methyl]chromen-2-one

Systemtic Name: 7-methoxy-4-[(4-methyl-1,4-diazepane-1,4-diium-1-yl)methyl]chromen-2-one Openeye Name: 7-methoxy-4-[(4-methyl-1,4-diazepane-1,4-diium-1-yl)methyl]chromen-2-one CAS Name: 7-methoxy-4-[(4-methyl-1,4-diazepane-1,4-diium-1-yl)methyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-4-[(4-methyl-1,4-diazepane-1,4-diium-1-yl)methyl]chromen-2-one Traditional Name: 7-methoxy-4-[(4-methyl-1,4-diazepane-1,4-diium-1-yl)methyl]coumarin Formula: C17H24N2O3+2 MolecularWeight: 304.38406

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC[NH+](CC1)CC2=CC(=O)OC3=C2C=CC(=C3)OC

Isomeric SMILES

C[NH+]1CCC[NH+](CC1)CC2=CC(=O)OC3=C2C=CC(=C3)OC

InChI

InChI=1S/C17H22N2O3/c1-18-6-3-7-19(9-8-18)12-13-10-17(20)22-16-11-14(21-2)4-5-15(13)16/h4-5,10-11H,3,6-9,12H2,1-2H3/p+2