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

Systemtic Name: [4-[[4-chloranyl-3-(2-methylpropanoylamino)phenyl]amino]-4-oxidanylidene-butyl]azanium Openeye Name: [4-[4-chloro-3-(2-methylpropanoylamino)anilino]-4-oxo-butyl]ammonium CAS Name: [4-[4-chloro-3-[(2-methyl-1-oxopropyl)amino]anilino]-4-oxobutyl]ammonium IUPAC Name: [4-[4-chloro-3-(2-methylpropanoylamino)anilino]-4-oxobutyl]azanium Traditional Name: [4-[4-chloro-3-(isobutyrylamino)anilino]-4-keto-butyl]ammonium Formula: C14H21ClN3O2+ MolecularWeight: 298.78844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20ClN3O2/c1-9(2)14(20)18-12-8-10(5-6-11(12)15)17-13(19)4-3-7-16/h5-6,8-9H,3-4,7,16H2,1-2H3,(H,17,19)(H,18,20)/p+1