5,7-dimethyl-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromen-2-one

Systemtic Name: 5,7-dimethyl-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromen-2-one Openeye Name: 5,7-dimethyl-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromen-2-one CAS Name: 5,7-dimethyl-4-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-1-benzopyran-2-one IUPAC Name: 5,7-dimethyl-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromen-2-one Traditional Name: 5,7-dimethyl-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:

CC1=CC(=C2C(=CC(=O)OC2=C1)C[NH+]3CC[NH+](CC3)C)C

Isomeric SMILES

CC1=CC(=C2C(=CC(=O)OC2=C1)C[NH+]3CC[NH+](CC3)C)C

InChI

InChI=1S/C17H22N2O2/c1-12-8-13(2)17-14(10-16(20)21-15(17)9-12)11-19-6-4-18(3)5-7-19/h8-10H,4-7,11H2,1-3H3/p+2