[4-[[4,5-dimethoxy-2-(3-methylbutanoylamino)phenyl]amino]-4-oxidanylidene-butyl]azanium

Systemtic Name: [4-[[4,5-dimethoxy-2-(3-methylbutanoylamino)phenyl]amino]-4-oxidanylidene-butyl]azanium Openeye Name: [4-[4,5-dimethoxy-2-(3-methylbutanoylamino)anilino]-4-oxo-butyl]ammonium CAS Name: [4-[4,5-dimethoxy-2-[(3-methyl-1-oxobutyl)amino]anilino]-4-oxobutyl]ammonium IUPAC Name: [4-[4,5-dimethoxy-2-(3-methylbutanoylamino)anilino]-4-oxobutyl]azanium Traditional Name: [4-[2-(isovalerylamino)-4,5-dimethoxy-anilino]-4-keto-butyl]ammonium Formula: C17H28N3O4+ MolecularWeight: 338.42192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC(=C(C=C1NC(=O)CCC[NH3+])OC)OC

Isomeric SMILES

CC(C)CC(=O)NC1=CC(=C(C=C1NC(=O)CCC[NH3+])OC)OC

InChI

InChI=1S/C17H27N3O4/c1-11(2)8-17(22)20-13-10-15(24-4)14(23-3)9-12(13)19-16(21)6-5-7-18/h9-11H,5-8,18H2,1-4H3,(H,19,21)(H,20,22)/p+1