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

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

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

Isomeric SMILES

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

InChI

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