N-[[3-(furan-2-ylmethylamino)-3-oxidanylidene-propyl]amino]-2-(2-oxidanylpropoxy)benzonitrilium

Systemtic Name: N-[[3-(furan-2-ylmethylamino)-3-oxidanylidene-propyl]amino]-2-(2-oxidanylpropoxy)benzonitrilium Openeye Name: N-[[3-(2-furylmethylamino)-3-oxo-propyl]amino]-2-(2-hydroxypropoxy)benzonitrilium CAS Name: N-[[3-(2-furanylmethylamino)-3-oxopropyl]amino]-2-(2-hydroxypropoxy)benzonitrilium IUPAC Name: N-[[3-(furan-2-ylmethylamino)-3-oxopropyl]amino]-2-(2-hydroxypropoxy)benzonitrilium Traditional Name: N-[[3-(2-furfurylamino)-3-keto-propyl]amino]-2-(2-hydroxypropoxy)benzonitrilium Formula: C18H22N3O4+ MolecularWeight: 344.38498

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=CC=CC=C1C#[N+]NCCC(=O)NCC2=CC=CO2)O

Isomeric SMILES

CC(COC1=CC=CC=C1C#[N+]NCCC(=O)NCC2=CC=CO2)O

InChI

InChI=1S/C18H21N3O4/c1-14(22)13-25-17-7-3-2-5-15(17)11-21-20-9-8-18(23)19-12-16-6-4-10-24-16/h2-7,10,14,20,22H,8-9,12-13H2,1H3/p+1