N-butyl-2-[4-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]carbonyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-butyl-2-[4-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]carbonyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-butyl-2-[4-[(2R)-2,3-dihydrobenzofuran-2-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-butyl-2-[4-[[(2R)-2,3-dihydrobenzofuran-2-yl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-butyl-2-[4-[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-butyl-2-[4-[(2R)-coumaran-2-carbonyl]piperazin-1-ium-1-yl]acetamide Formula: C19H28N3O3+ MolecularWeight: 346.44392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C[NH+]1CCN(CC1)C(=O)C2CC3=CC=CC=C3O2

Isomeric SMILES

CCCCNC(=O)C[NH+]1CCN(CC1)C(=O)[C@H]2CC3=CC=CC=C3O2

InChI

InChI=1S/C19H27N3O3/c1-2-3-8-20-18(23)14-21-9-11-22(12-10-21)19(24)17-13-15-6-4-5-7-16(15)25-17/h4-7,17H,2-3,8-14H2,1H3,(H,20,23)/p+1/t17-/m1/s1