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

Systemtic Name: 4-methyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-4-methyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromen-2-one CAS Name: 7-hydroxy-4-methyl-8-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-methyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromen-2-one Traditional Name: 7-hydroxy-4-methyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]coumarin Formula: C16H22N2O3+2 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2C[NH+]3CC[NH+](CC3)C)O

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2C[NH+]3CC[NH+](CC3)C)O

InChI

InChI=1S/C16H20N2O3/c1-11-9-15(20)21-16-12(11)3-4-14(19)13(16)10-18-7-5-17(2)6-8-18/h3-4,9,19H,5-8,10H2,1-2H3/p+2