[4-[[5-(2-ethylbutanoylamino)-2-methyl-phenyl]amino]-4-oxidanylidene-butyl]azanium

Systemtic Name: [4-[[5-(2-ethylbutanoylamino)-2-methyl-phenyl]amino]-4-oxidanylidene-butyl]azanium Openeye Name: [4-[5-(2-ethylbutanoylamino)-2-methyl-anilino]-4-oxo-butyl]ammonium CAS Name: [4-[5-[(2-ethyl-1-oxobutyl)amino]-2-methylanilino]-4-oxobutyl]ammonium IUPAC Name: [4-[5-(2-ethylbutanoylamino)-2-methylanilino]-4-oxobutyl]azanium Traditional Name: [4-[5-(2-ethylbutanoylamino)-2-methyl-anilino]-4-keto-butyl]ammonium Formula: C17H28N3O2+ MolecularWeight: 306.42312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O2/c1-4-13(5-2)17(22)19-14-9-8-12(3)15(11-14)20-16(21)7-6-10-18/h8-9,11,13H,4-7,10,18H2,1-3H3,(H,19,22)(H,20,21)/p+1