4-[(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl]piperazin-4-ium-2-one

Systemtic Name: 4-[(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl]piperazin-4-ium-2-one Openeye Name: 4-[(6,7-dimethyl-2-oxo-chromen-4-yl)methyl]piperazin-4-ium-2-one CAS Name: 4-[(6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl]-2-piperazin-4-iumone IUPAC Name: 4-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]piperazin-4-ium-2-one Traditional Name: 4-[(2-keto-6,7-dimethyl-chromen-4-yl)methyl]piperazin-4-ium-2-one Formula: C16H19N2O3+ MolecularWeight: 287.33366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCNC(=O)C3)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCNC(=O)C3)C

InChI

InChI=1S/C16H18N2O3/c1-10-5-13-12(8-18-4-3-17-15(19)9-18)7-16(20)21-14(13)6-11(10)2/h5-7H,3-4,8-9H2,1-2H3,(H,17,19)/p+1