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

Systemtic Name: 2-[4-(2-benzo[e][1]benzofuran-1-ylethanoyl)piperazin-1-ium-1-yl]-N,N-dimethyl-ethanamide Openeye Name: 2-[4-(2-benzo[e]benzofuran-1-ylacetyl)piperazin-1-ium-1-yl]-N,N-dimethyl-acetamide CAS Name: 2-[4-[2-(1-benzo[e]benzofuranyl)-1-oxoethyl]-1-piperazin-1-iumyl]-N,N-dimethylacetamide IUPAC Name: 2-[4-(2-benzo[e][1]benzofuran-1-ylacetyl)piperazin-1-ium-1-yl]-N,N-dimethylacetamide Traditional Name: 2-[4-(2-benzo[e]benzofuran-1-ylacetyl)piperazin-1-ium-1-yl]-N,N-dimethyl-acetamide Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3/c1-23(2)21(27)14-24-9-11-25(12-10-24)20(26)13-17-15-28-19-8-7-16-5-3-4-6-18(16)22(17)19/h3-8,15H,9-14H2,1-2H3/p+1