6-methyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]chromen-2-one

Systemtic Name: 6-methyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]chromen-2-one Openeye Name: 6-methyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]chromen-2-one CAS Name: 6-methyl-4-[(4-methyl-1-piperazin-4-iumyl)methyl]-1-benzopyran-2-one IUPAC Name: 6-methyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]chromen-2-one Traditional Name: 6-methyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]coumarin Formula: C16H21N2O2+ MolecularWeight: 273.35014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=O)C=C2CN3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=O)C=C2CN3CC[NH+](CC3)C

InChI

InChI=1S/C16H20N2O2/c1-12-3-4-15-14(9-12)13(10-16(19)20-15)11-18-7-5-17(2)6-8-18/h3-4,9-10H,5-8,11H2,1-2H3/p+1