N-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-2-naphthalen-1-yl-ethanamide

Systemtic Name: N-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-2-naphthalen-1-yl-ethanamide Openeye Name: N-[2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]-2-(1-naphthyl)acetamide CAS Name: N-[2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-2-(1-naphthalenyl)acetamide IUPAC Name: N-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide Traditional Name: N-[2-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-2-keto-ethyl]-2-(1-naphthyl)acetamide Formula: C27H30N3O3+ MolecularWeight: 444.5454

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)CNC(=O)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)CNC(=O)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H29N3O3/c31-26(17-22-6-3-5-21-4-1-2-7-24(21)22)28-18-27(32)30-13-11-29(12-14-30)19-20-8-9-25-23(16-20)10-15-33-25/h1-9,16H,10-15,17-19H2,(H,28,31)/p+1