[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone

Systemtic Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone Openeye Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone CAS Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-(2,3-dimethyl-1H-indol-5-yl)methanone IUPAC Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone Traditional Name: [4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone Formula: C24H28N3O2+ MolecularWeight: 390.49802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O2/c1-16-17(2)25-22-5-4-20(14-21(16)22)24(28)27-10-8-26(9-11-27)15-18-3-6-23-19(13-18)7-12-29-23/h3-6,13-14,25H,7-12,15H2,1-2H3/p+1