3-methyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-6,7-dihydro-5H-1-benzofuran-4-one

Systemtic Name: 3-methyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-6,7-dihydro-5H-1-benzofuran-4-one Openeye Name: 2-(4-benzylpiperazin-4-ium-1-carbonyl)-3-methyl-6,7-dihydro-5H-benzofuran-4-one CAS Name: 3-methyl-2-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-6,7-dihydro-5H-benzofuran-4-one IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-carbonyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-one Traditional Name: 2-(4-benzylpiperazin-4-ium-1-carbonyl)-3-methyl-6,7-dihydro-5H-benzofuran-4-one Formula: C21H25N2O3+ MolecularWeight: 353.4348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=O)CCC2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(OC2=C1C(=O)CCC2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H24N2O3/c1-15-19-17(24)8-5-9-18(19)26-20(15)21(25)23-12-10-22(11-13-23)14-16-6-3-2-4-7-16/h2-4,6-7H,5,8-14H2,1H3/p+1