tert-butyl-(2-carboxy-3,3-dimethyl-butyl)-(2-carboxyethyl)-[(2-chlorophenyl)methyl]azanium

Systemtic Name: tert-butyl-(2-carboxy-3,3-dimethyl-butyl)-(2-carboxyethyl)-[(2-chlorophenyl)methyl]azanium Openeye Name: tert-butyl-(2-carboxy-3,3-dimethyl-butyl)-(2-carboxyethyl)-[(2-chlorophenyl)methyl]ammonium CAS Name: tert-butyl-(2-carboxy-3,3-dimethylbutyl)-(2-carboxyethyl)-[(2-chlorophenyl)methyl]ammonium IUPAC Name: tert-butyl-(2-carboxy-3,3-dimethylbutyl)-(2-carboxyethyl)-[(2-chlorophenyl)methyl]azanium Traditional Name: tert-butyl-(2-carboxy-3,3-dimethyl-butyl)-(2-carboxyethyl)-(2-chlorobenzyl)ammonium Formula: C21H33ClNO4+ MolecularWeight: 398.94402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C[N+](CCC(=O)O)(CC1=CC=CC=C1Cl)C(C)(C)C)C(=O)O

Isomeric SMILES

CC(C)(C)C(C[N+](CCC(=O)O)(CC1=CC=CC=C1Cl)C(C)(C)C)C(=O)O

InChI

InChI=1S/C21H32ClNO4/c1-20(2,3)16(19(26)27)14-23(21(4,5)6,12-11-18(24)25)13-15-9-7-8-10-17(15)22/h7-10,16H,11-14H2,1-6H3,(H-,24,25,26,27)/p+1