[4-[[4-chloranyl-3-(2-ethylbutanoylamino)phenyl]amino]-4-oxidanylidene-butyl]azanium

Systemtic Name: [4-[[4-chloranyl-3-(2-ethylbutanoylamino)phenyl]amino]-4-oxidanylidene-butyl]azanium Openeye Name: [4-[4-chloro-3-(2-ethylbutanoylamino)anilino]-4-oxo-butyl]ammonium CAS Name: [4-[4-chloro-3-[(2-ethyl-1-oxobutyl)amino]anilino]-4-oxobutyl]ammonium IUPAC Name: [4-[4-chloro-3-(2-ethylbutanoylamino)anilino]-4-oxobutyl]azanium Traditional Name: [4-[4-chloro-3-(2-ethylbutanoylamino)anilino]-4-keto-butyl]ammonium Formula: C16H25ClN3O2+ MolecularWeight: 326.8416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24ClN3O2/c1-3-11(4-2)16(22)20-14-10-12(7-8-13(14)17)19-15(21)6-5-9-18/h7-8,10-11H,3-6,9,18H2,1-2H3,(H,19,21)(H,20,22)/p+1