4-[(4-ethylpiperazin-4-ium-1-yl)methyl]-7-methyl-5-oxidanyl-chromen-2-one

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=CC(=O)OC3=C2C(=CC(=C3)C)O

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=CC(=O)OC3=C2C(=CC(=C3)C)O

InChI

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