2-[4-(2-benzo[e][1]benzofuran-1-ylethanoyl)piperazin-1-ium-1-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[4-(2-benzo[e][1]benzofuran-1-ylethanoyl)piperazin-1-ium-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[4-(2-benzo[e]benzofuran-1-ylacetyl)piperazin-1-ium-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[4-[2-(1-benzo[e]benzofuranyl)-1-oxoethyl]-1-piperazin-1-iumyl]ethyl-dimethylammonium IUPAC Name: 2-[4-(2-benzo[e][1]benzofuran-1-ylacetyl)piperazin-1-ium-1-yl]ethyl-dimethylazanium Traditional Name: 2-[4-(2-benzo[e]benzofuran-1-ylacetyl)piperazin-1-ium-1-yl]ethyl-dimethyl-ammonium Formula: C22H29N3O2+2 MolecularWeight: 367.48456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2/c1-23(2)9-10-24-11-13-25(14-12-24)21(26)15-18-16-27-20-8-7-17-5-3-4-6-19(17)22(18)20/h3-8,16H,9-15H2,1-2H3/p+2