2-[(4-methyl-1,4-diazepan-4-ium-1-yl)carbonyl]chromen-4-one

Systemtic Name: 2-[(4-methyl-1,4-diazepan-4-ium-1-yl)carbonyl]chromen-4-one Openeye Name: 2-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)chromen-4-one CAS Name: 2-[(4-methyl-1,4-diazepan-4-ium-1-yl)-oxomethyl]-1-benzopyran-4-one IUPAC Name: 2-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)chromen-4-one Traditional Name: 2-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)chromone Formula: C16H19N2O3+ MolecularWeight: 287.33366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)C2=CC(=O)C3=CC=CC=C3O2

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)C2=CC(=O)C3=CC=CC=C3O2

InChI

InChI=1S/C16H18N2O3/c1-17-7-4-8-18(10-9-17)16(20)15-11-13(19)12-5-2-3-6-14(12)21-15/h2-3,5-6,11H,4,7-10H2,1H3/p+1