N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-11-oxidanyl-11-oxidanylidene-undecanenitrilium

Systemtic Name: N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-11-oxidanyl-11-oxidanylidene-undecanenitrilium Openeye Name: N-[2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)ethyl]-11-hydroxy-11-oxo-undecanenitrilium CAS Name: N-[2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)ethyl]-11-hydroxy-11-oxoundecanenitrilium IUPAC Name: N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-11-hydroxy-11-oxoundecanenitrilium Traditional Name: N-[2-(5-amidinocoumaran-3-yl)ethyl]-11-hydroxy-11-keto-undecanenitrilium Formula: C22H32N3O3+ MolecularWeight: 386.50778

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(O1)C=CC(=C2)C(=N)N)CC[N+]#CCCCCCCCCCC(=O)O

Isomeric SMILES

C1C(C2=C(O1)C=CC(=C2)C(=N)N)CC[N+]#CCCCCCCCCCC(=O)O

InChI

InChI=1S/C22H31N3O3/c23-22(24)17-10-11-20-19(15-17)18(16-28-20)12-14-25-13-8-6-4-2-1-3-5-7-9-21(26)27/h10-11,15,18H,1-9,12,14,16H2,(H3-,23,24,26,27)/p+1