1-[(4-dimethylaminophenyl)-(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(4-dimethylaminophenyl)-(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-dimethylaminophenyl)-(5-ethyl-2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-dimethylaminophenyl)-(5-ethyl-2-thiophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-dimethylaminophenyl)-(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-dimethylaminophenyl)-(5-ethyl-2-thienyl)methyl]isonipecotic acid Formula: C21H28N2O2S MolecularWeight: 372.52422

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C(C2=CC=C(C=C2)N(C)C)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCC1=CC=C(S1)C(C2=CC=C(C=C2)N(C)C)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C21H28N2O2S/c1-4-18-9-10-19(26-18)20(15-5-7-17(8-6-15)22(2)3)23-13-11-16(12-14-23)21(24)25/h5-10,16,20H,4,11-14H2,1-3H3,(H,24,25)