4-azanyl-1-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid; sulfuric acid

Systemtic Name: 4-azanyl-1-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid; sulfuric acid Openeye Name: 4-amino-1-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid; sulfuric acid CAS Name: 4-amino-1-[(4-chlorophenyl)methyl]-4-piperidinecarboxylic acid; sulfuric acid IUPAC Name: 4-amino-1-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid; sulfuric acid Traditional Name: 4-amino-1-(4-chlorobenzyl)isonipecotic acid; sulfuric acid Formula: C13H19ClN2O6S MolecularWeight: 366.81776

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C(=O)O)N)CC2=CC=C(C=C2)Cl.OS(=O)(=O)O

Isomeric SMILES

C1CN(CCC1(C(=O)O)N)CC2=CC=C(C=C2)Cl.OS(=O)(=O)O

InChI

InChI=1S/C13H17ClN2O2.H2O4S/c14-11-3-1-10(2-4-11)9-16-7-5-13(15,6-8-16)12(17)18;1-5(2,3)4/h1-4H,5-9,15H2,(H,17,18);(H2,1,2,3,4)