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

Systemtic Name: 7-methyl-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-6-oxidanyl-chromen-2-one Openeye Name: 6-hydroxy-7-methyl-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromen-2-one CAS Name: 6-hydroxy-7-methyl-4-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-1-benzopyran-2-one IUPAC Name: 6-hydroxy-7-methyl-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromen-2-one Traditional Name: 6-hydroxy-7-methyl-4-[(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=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CC[NH+](CC3)C)O

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O3/c1-11-7-15-13(9-14(11)19)12(8-16(20)21-15)10-18-5-3-17(2)4-6-18/h7-9,19H,3-6,10H2,1-2H3/p+2