2-cyano-N-[4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]ethanamide

Systemtic Name: 2-cyano-N-[4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]ethanamide Openeye Name: 2-cyano-N-[4-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]acetamide CAS Name: 2-cyano-N-[4-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]phenyl]acetamide IUPAC Name: 2-cyano-N-[4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]acetamide Traditional Name: N-[4-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]-2-cyano-acetamide Formula: C23H25N4O3+ MolecularWeight: 405.4696

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)C4=CC=C(C=C4)NC(=O)CC#N

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)C4=CC=C(C=C4)NC(=O)CC#N

InChI

InChI=1S/C23H24N4O3/c24-9-7-22(28)25-20-4-2-18(3-5-20)23(29)27-12-10-26(11-13-27)16-17-1-6-21-19(15-17)8-14-30-21/h1-6,15H,7-8,10-14,16H2,(H,25,28)/p+1