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

Systemtic Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-3-methyl-1,5,6,7-tetrahydroindol-4-one Openeye Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one CAS Name: 2-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one IUPAC Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one Traditional Name: 2-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one Formula: C23H28N3O3+ MolecularWeight: 394.48672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C(=O)CCC2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5

Isomeric SMILES

CC1=C(NC2=C1C(=O)CCC2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C23H27N3O3/c1-15-21-18(3-2-4-19(21)27)24-22(15)23(28)26-10-8-25(9-11-26)14-16-5-6-20-17(13-16)7-12-29-20/h5-6,13,24H,2-4,7-12,14H2,1H3/p+1