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

Systemtic Name: 3,6,6-trimethyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-5,7-dihydro-1-benzofuran-4-one Openeye Name: 2-(4-benzylpiperazin-4-ium-1-carbonyl)-3,6,6-trimethyl-5,7-dihydrobenzofuran-4-one CAS Name: 3,6,6-trimethyl-2-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-5,7-dihydrobenzofuran-4-one IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-carbonyl)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-4-one Traditional Name: 2-(4-benzylpiperazin-4-ium-1-carbonyl)-3,6,6-trimethyl-5,7-dihydrobenzofuran-4-one Formula: C23H29N2O3+ MolecularWeight: 381.48796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=O)CC(C2)(C)C)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(OC2=C1C(=O)CC(C2)(C)C)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H28N2O3/c1-16-20-18(26)13-23(2,3)14-19(20)28-21(16)22(27)25-11-9-24(10-12-25)15-17-7-5-4-6-8-17/h4-8H,9-15H2,1-3H3/p+1