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

Systemtic Name: 6-ethyl-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-[(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=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CC[NH+](CC3)C)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CC[NH+](CC3)C)O

InChI

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