3-methyl-2-(4-methylpiperazin-4-ium-1-yl)carbonyl-6,7-dihydro-5H-1-benzofuran-4-one

Systemtic Name: 3-methyl-2-(4-methylpiperazin-4-ium-1-yl)carbonyl-6,7-dihydro-5H-1-benzofuran-4-one Openeye Name: 3-methyl-2-(4-methylpiperazin-4-ium-1-carbonyl)-6,7-dihydro-5H-benzofuran-4-one CAS Name: 3-methyl-2-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-6,7-dihydro-5H-benzofuran-4-one IUPAC Name: 3-methyl-2-(4-methylpiperazin-4-ium-1-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one Traditional Name: 3-methyl-2-(4-methylpiperazin-4-ium-1-carbonyl)-6,7-dihydro-5H-benzofuran-4-one Formula: C15H21N2O3+ MolecularWeight: 277.33884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=O)CCC2)C(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=C(OC2=C1C(=O)CCC2)C(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C15H20N2O3/c1-10-13-11(18)4-3-5-12(13)20-14(10)15(19)17-8-6-16(2)7-9-17/h3-9H2,1-2H3/p+1