3-[(4-methyl-1,4-diazepan-4-ium-1-yl)carbonyl]chromen-2-one

Systemtic Name: 3-[(4-methyl-1,4-diazepan-4-ium-1-yl)carbonyl]chromen-2-one Openeye Name: 3-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)chromen-2-one CAS Name: 3-[(4-methyl-1,4-diazepan-4-ium-1-yl)-oxomethyl]-1-benzopyran-2-one IUPAC Name: 3-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)chromen-2-one Traditional Name: 3-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)coumarin Formula: C16H19N2O3+ MolecularWeight: 287.33366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)C2=CC3=CC=CC=C3OC2=O

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)C2=CC3=CC=CC=C3OC2=O

InChI

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