2-[4-(2-benzo[e][1]benzofuran-1-ylethanoyl)piperazin-1-ium-1-yl]-N-tert-butyl-ethanamide

Systemtic Name: 2-[4-(2-benzo[e][1]benzofuran-1-ylethanoyl)piperazin-1-ium-1-yl]-N-tert-butyl-ethanamide Openeye Name: 2-[4-(2-benzo[e]benzofuran-1-ylacetyl)piperazin-1-ium-1-yl]-N-tert-butyl-acetamide CAS Name: 2-[4-[2-(1-benzo[e]benzofuranyl)-1-oxoethyl]-1-piperazin-1-iumyl]-N-tert-butylacetamide IUPAC Name: 2-[4-(2-benzo[e][1]benzofuran-1-ylacetyl)piperazin-1-ium-1-yl]-N-tert-butylacetamide Traditional Name: 2-[4-(2-benzo[e]benzofuran-1-ylacetyl)piperazin-1-ium-1-yl]-N-tert-butyl-acetamide Formula: C24H30N3O3+ MolecularWeight: 408.5133

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CC2=COC3=C2C4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CC2=COC3=C2C4=CC=CC=C4C=C3

InChI

InChI=1S/C24H29N3O3/c1-24(2,3)25-21(28)15-26-10-12-27(13-11-26)22(29)14-18-16-30-20-9-8-17-6-4-5-7-19(17)23(18)20/h4-9,16H,10-15H2,1-3H3,(H,25,28)/p+1