4-methyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 4-methyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-4-methyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]chromen-2-one CAS Name: 7-hydroxy-4-methyl-8-[(4-methyl-1-piperazin-4-iumyl)methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-methyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]chromen-2-one Traditional Name: 7-hydroxy-4-methyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]coumarin Formula: C16H21N2O3+ MolecularWeight: 289.34954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2CN3CC[NH+](CC3)C)O

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2CN3CC[NH+](CC3)C)O

InChI

InChI=1S/C16H20N2O3/c1-11-9-15(20)21-16-12(11)3-4-14(19)13(16)10-18-7-5-17(2)6-8-18/h3-4,9,19H,5-8,10H2,1-2H3/p+1