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

Systemtic Name: 6-ethyl-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromen-2-one Openeye Name: 6-ethyl-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromen-2-one CAS Name: 6-ethyl-4-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromen-2-one Traditional Name: 6-ethyl-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]coumarin Formula: C17H24N2O2+2 MolecularWeight: 288.38466

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CC[NH+](CC3)C

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CC[NH+](CC3)C

InChI

InChI=1S/C17H22N2O2/c1-3-13-4-5-16-15(10-13)14(11-17(20)21-16)12-19-8-6-18(2)7-9-19/h4-5,10-11H,3,6-9,12H2,1-2H3/p+2