4,7-dimethyl-6-[(4-methylpiperazin-4-ium-1-yl)methyl]-5-oxidanyl-chromen-2-one

Systemtic Name: 4,7-dimethyl-6-[(4-methylpiperazin-4-ium-1-yl)methyl]-5-oxidanyl-chromen-2-one Openeye Name: 5-hydroxy-4,7-dimethyl-6-[(4-methylpiperazin-4-ium-1-yl)methyl]chromen-2-one CAS Name: 5-hydroxy-4,7-dimethyl-6-[(4-methyl-1-piperazin-4-iumyl)methyl]-1-benzopyran-2-one IUPAC Name: 5-hydroxy-4,7-dimethyl-6-[(4-methylpiperazin-4-ium-1-yl)methyl]chromen-2-one Traditional Name: 5-hydroxy-4,7-dimethyl-6-[(4-methylpiperazin-4-ium-1-yl)methyl]coumarin Formula: C17H23N2O3+ MolecularWeight: 303.37612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=CC(=O)O2)C)C(=C1CN3CC[NH+](CC3)C)O

Isomeric SMILES

CC1=CC2=C(C(=CC(=O)O2)C)C(=C1CN3CC[NH+](CC3)C)O

InChI

InChI=1S/C17H22N2O3/c1-11-8-14-16(12(2)9-15(20)22-14)17(21)13(11)10-19-6-4-18(3)5-7-19/h8-9,21H,4-7,10H2,1-3H3/p+1