N-tert-butyl-2-[4-[2-(6-methoxy-1-benzofuran-3-yl)ethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-(6-methoxy-1-benzofuran-3-yl)ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-(6-methoxybenzofuran-3-yl)acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-(6-methoxy-3-benzofuranyl)-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-(6-methoxybenzofuran-3-yl)acetyl]piperazin-1-ium-1-yl]acetamide Formula: C21H30N3O4+ MolecularWeight: 388.4806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CC2=COC3=C2C=CC(=C3)OC

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CC2=COC3=C2C=CC(=C3)OC

InChI

InChI=1S/C21H29N3O4/c1-21(2,3)22-19(25)13-23-7-9-24(10-8-23)20(26)11-15-14-28-18-12-16(27-4)5-6-17(15)18/h5-6,12,14H,7-11,13H2,1-4H3,(H,22,25)/p+1