1-[(4-dimethylaminophenyl)-(5-ethylthiophen-2-yl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(4-dimethylaminophenyl)-(5-ethylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-dimethylaminophenyl)-(5-ethyl-2-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-dimethylaminophenyl)-(5-ethyl-2-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-dimethylaminophenyl)-(5-ethylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-dimethylaminophenyl)-(5-ethyl-2-thienyl)methyl]nipecotic 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)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCC1=CC=C(S1)C(C2=CC=C(C=C2)N(C)C)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C21H28N2O2S/c1-4-18-11-12-19(26-18)20(15-7-9-17(10-8-15)22(2)3)23-13-5-6-16(14-23)21(24)25/h7-12,16,20H,4-6,13-14H2,1-3H3,(H,24,25)