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

Systemtic Name: 3-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-6,7-dihydro-5H-1-benzofuran-4-one Openeye Name: 3-methyl-2-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-6,7-dihydro-5H-benzofuran-4-one CAS Name: 3-methyl-2-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-6,7-dihydro-5H-benzofuran-4-one IUPAC Name: 3-methyl-2-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one Traditional Name: 3-methyl-2-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-6,7-dihydro-5H-benzofuran-4-one Formula: C19H22N3O3+ MolecularWeight: 340.39628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=O)CCC2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=C(OC2=C1C(=O)CCC2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C19H21N3O3/c1-13-17-14(23)5-4-6-15(17)25-18(13)19(24)22-11-9-21(10-12-22)16-7-2-3-8-20-16/h2-3,7-8H,4-6,9-12H2,1H3/p+1