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

Systemtic Name: [4-[[2-methoxy-5-(3-methylbutanoylamino)phenyl]amino]-4-oxidanylidene-butyl]azanium Openeye Name: [4-[2-methoxy-5-(3-methylbutanoylamino)anilino]-4-oxo-butyl]ammonium CAS Name: [4-[2-methoxy-5-[(3-methyl-1-oxobutyl)amino]anilino]-4-oxobutyl]ammonium IUPAC Name: [4-[2-methoxy-5-(3-methylbutanoylamino)anilino]-4-oxobutyl]azanium Traditional Name: [4-[5-(isovalerylamino)-2-methoxy-anilino]-4-keto-butyl]ammonium Formula: C16H26N3O3+ MolecularWeight: 308.39594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)CCC[NH3+]

Isomeric SMILES

CC(C)CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)CCC[NH3+]

InChI

InChI=1S/C16H25N3O3/c1-11(2)9-16(21)18-12-6-7-14(22-3)13(10-12)19-15(20)5-4-8-17/h6-7,10-11H,4-5,8-9,17H2,1-3H3,(H,18,21)(H,19,20)/p+1