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

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

C[NH+]1CC[NH+](CC1)CC2=CC(=O)OC3=C2C=CC(=C3)OC

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC2=CC(=O)OC3=C2C=CC(=C3)OC

InChI

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