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

Systemtic Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-3,6,6-trimethyl-5,7-dihydro-1H-indol-4-one Openeye Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-carbonyl]-3,6,6-trimethyl-5,7-dihydro-1H-indol-4-one CAS Name: 2-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-3,6,6-trimethyl-5,7-dihydro-1H-indol-4-one IUPAC Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-carbonyl]-3,6,6-trimethyl-5,7-dihydro-1H-indol-4-one Traditional Name: 2-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-carbonyl]-3,6,6-trimethyl-5,7-dihydro-1H-indol-4-one Formula: C25H32N3O3+ MolecularWeight: 422.53988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C(=O)CC(C2)(C)C)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5

Isomeric SMILES

CC1=C(NC2=C1C(=O)CC(C2)(C)C)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C25H31N3O3/c1-16-22-19(13-25(2,3)14-20(22)29)26-23(16)24(30)28-9-7-27(8-10-28)15-17-4-5-21-18(12-17)6-11-31-21/h4-5,12,26H,6-11,13-15H2,1-3H3/p+1