2-[4-(2-benzo[e][1]benzofuran-1-ylethanoyl)piperazin-1-ium-1-yl]-N-(3-methoxypropyl)ethanamide

Systemtic Name: 2-[4-(2-benzo[e][1]benzofuran-1-ylethanoyl)piperazin-1-ium-1-yl]-N-(3-methoxypropyl)ethanamide Openeye Name: 2-[4-(2-benzo[e]benzofuran-1-ylacetyl)piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide CAS Name: 2-[4-[2-(1-benzo[e]benzofuranyl)-1-oxoethyl]-1-piperazin-1-iumyl]-N-(3-methoxypropyl)acetamide IUPAC Name: 2-[4-(2-benzo[e][1]benzofuran-1-ylacetyl)piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide Traditional Name: 2-[4-(2-benzo[e]benzofuran-1-ylacetyl)piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide Formula: C24H30N3O4+ MolecularWeight: 424.5127

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O4/c1-30-14-4-9-25-22(28)16-26-10-12-27(13-11-26)23(29)15-19-17-31-21-8-7-18-5-2-3-6-20(18)24(19)21/h2-3,5-8,17H,4,9-16H2,1H3,(H,25,28)/p+1