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

Systemtic Name: [4-[[4-chloranyl-3-(2,2-dimethylpropanoylamino)phenyl]amino]-4-oxidanylidene-butyl]azanium Openeye Name: [4-[4-chloro-3-(2,2-dimethylpropanoylamino)anilino]-4-oxo-butyl]ammonium CAS Name: [4-[4-chloro-3-[(2,2-dimethyl-1-oxopropyl)amino]anilino]-4-oxobutyl]ammonium IUPAC Name: [4-[4-chloro-3-(2,2-dimethylpropanoylamino)anilino]-4-oxobutyl]azanium Traditional Name: [4-[4-chloro-3-(pivaloylamino)anilino]-4-keto-butyl]ammonium Formula: C15H23ClN3O2+ MolecularWeight: 312.81502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22ClN3O2/c1-15(2,3)14(21)19-12-9-10(6-7-11(12)16)18-13(20)5-4-8-17/h6-7,9H,4-5,8,17H2,1-3H3,(H,18,20)(H,19,21)/p+1