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

Systemtic Name: 7-ethyl-4-[(4-methyl-1,4-diazepane-1,4-diium-1-yl)methyl]chromen-2-one Openeye Name: 7-ethyl-4-[(4-methyl-1,4-diazepane-1,4-diium-1-yl)methyl]chromen-2-one CAS Name: 7-ethyl-4-[(4-methyl-1,4-diazepane-1,4-diium-1-yl)methyl]-1-benzopyran-2-one IUPAC Name: 7-ethyl-4-[(4-methyl-1,4-diazepane-1,4-diium-1-yl)methyl]chromen-2-one Traditional Name: 7-ethyl-4-[(4-methyl-1,4-diazepane-1,4-diium-1-yl)methyl]coumarin Formula: C18H26N2O2+2 MolecularWeight: 302.41124

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCC[NH+](CC3)C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCC[NH+](CC3)C

InChI

InChI=1S/C18H24N2O2/c1-3-14-5-6-16-15(12-18(21)22-17(16)11-14)13-20-8-4-7-19(2)9-10-20/h5-6,11-12H,3-4,7-10,13H2,1-2H3/p+2