3-carboxy-2,2,3-trimethyl-cyclopentane-1-carboxylate; 3-[(2-chlorophenyl)methyl]-1,3-thiazol-3-ium-2-amine

Systemtic Name: 3-carboxy-2,2,3-trimethyl-cyclopentane-1-carboxylate; 3-[(2-chlorophenyl)methyl]-1,3-thiazol-3-ium-2-amine Openeye Name: 3-carboxy-2,2,3-trimethyl-cyclopentanecarboxylate; 3-[(2-chlorophenyl)methyl]thiazol-3-ium-2-amine CAS Name: 3-carboxy-2,2,3-trimethyl-1-cyclopentanecarboxylate; 3-[(2-chlorophenyl)methyl]-2-thiazol-3-iumamine IUPAC Name: 3-carboxy-2,2,3-trimethylcyclopentane-1-carboxylate; 3-[(2-chlorophenyl)methyl]-1,3-thiazol-3-ium-2-amine Traditional Name: 3-carboxy-2,2,3-trimethyl-cyclopentanecarboxylate; [3-(2-chlorobenzyl)thiazol-3-ium-2-yl]amine Formula: C20H25ClN2O4S MolecularWeight: 424.9415

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCC1(C)C(=O)O)C(=O)[O-])C.C1=CC=C(C(=C1)C[N+]2=C(SC=C2)N)Cl

Isomeric SMILES

CC1(C(CCC1(C)C(=O)O)C(=O)[O-])C.C1=CC=C(C(=C1)C[N+]2=C(SC=C2)N)Cl

InChI

InChI=1S/C10H9ClN2S.C10H16O4/c11-9-4-2-1-3-8(9)7-13-5-6-14-10(13)12;1-9(2)6(7(11)12)4-5-10(9,3)8(13)14/h1-6,12H,7H2;6H,4-5H2,1-3H3,(H,11,12)(H,13,14)