1-[bis(4-dimethylaminophenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[bis(4-dimethylaminophenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[bis(4-dimethylaminophenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[bis(4-dimethylaminophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[bis(4-dimethylaminophenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[bis(4-dimethylaminophenyl)methyl]isonipecotic acid Formula: C23H31N3O2 MolecularWeight: 381.51114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)N3CCC(CC3)C(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C23H31N3O2/c1-24(2)20-9-5-17(6-10-20)22(18-7-11-21(12-8-18)25(3)4)26-15-13-19(14-16-26)23(27)28/h5-12,19,22H,13-16H2,1-4H3,(H,27,28)