1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-indol-1-yl-propan-1-one

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)CCN4C=CC5=CC=CC=C54

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)CCN4C=CC5=CC=CC=C54

InChI

InChI=1S/C24H27N3O2/c28-24(8-11-26-10-7-20-3-1-2-4-22(20)26)27-14-12-25(13-15-27)18-19-5-6-23-21(17-19)9-16-29-23/h1-7,10,17H,8-9,11-16,18H2/p+1