6,7-dimethyl-4-[(4-methyl-1,4-diazepane-1,4-diium-1-yl)methyl]chromen-2-one

Systemtic Name: 6,7-dimethyl-4-[(4-methyl-1,4-diazepane-1,4-diium-1-yl)methyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-[(4-methyl-1,4-diazepane-1,4-diium-1-yl)methyl]chromen-2-one CAS Name: 6,7-dimethyl-4-[(4-methyl-1,4-diazepane-1,4-diium-1-yl)methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[(4-methyl-1,4-diazepane-1,4-diium-1-yl)methyl]chromen-2-one Traditional Name: 6,7-dimethyl-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:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCC[NH+](CC3)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCC[NH+](CC3)C)C

InChI

InChI=1S/C18H24N2O2/c1-13-9-16-15(11-18(21)22-17(16)10-14(13)2)12-20-6-4-5-19(3)7-8-20/h9-11H,4-8,12H2,1-3H3/p+2