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

Systemtic Name: 3,6,6-trimethyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-5,7-dihydro-1-benzofuran-4-one Openeye Name: 3,6,6-trimethyl-2-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-5,7-dihydrobenzofuran-4-one CAS Name: 3,6,6-trimethyl-2-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-5,7-dihydrobenzofuran-4-one IUPAC Name: 3,6,6-trimethyl-2-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-5,7-dihydro-1-benzofuran-4-one Traditional Name: 3,6,6-trimethyl-2-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-5,7-dihydrobenzofuran-4-one Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=O)CC(C2)(C)C)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=C(OC2=C1C(=O)CC(C2)(C)C)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H25N3O3/c1-14-18-15(25)12-21(2,3)13-16(18)27-19(14)20(26)24-10-8-23(9-11-24)17-6-4-5-7-22-17/h4-7H,8-13H2,1-3H3/p+1