4-ethyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 4-ethyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-chromen-2-one Openeye Name: 4-ethyl-7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromen-2-one CAS Name: 4-ethyl-7-hydroxy-8-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-1-benzopyran-2-one IUPAC Name: 4-ethyl-7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromen-2-one Traditional Name: 4-ethyl-7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]coumarin Formula: C17H24N2O3+2 MolecularWeight: 304.38406

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C1C=CC(=C2C[NH+]3CC[NH+](CC3)C)O

Isomeric SMILES

CCC1=CC(=O)OC2=C1C=CC(=C2C[NH+]3CC[NH+](CC3)C)O

InChI

InChI=1S/C17H22N2O3/c1-3-12-10-16(21)22-17-13(12)4-5-15(20)14(17)11-19-8-6-18(2)7-9-19/h4-5,10,20H,3,6-9,11H2,1-2H3/p+2