1-[1,3-benzodioxol-5-yl(thiophen-2-yl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[1,3-benzodioxol-5-yl(thiophen-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl(2-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl(thiophen-2-yl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl(thiophen-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl(2-thienyl)methyl]nipecotic acid Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC3=C(C=C2)OCO3)C4=CC=CS4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC3=C(C=C2)OCO3)C4=CC=CS4)C(=O)O

InChI

InChI=1S/C18H19NO4S/c20-18(21)13-3-1-7-19(10-13)17(16-4-2-8-24-16)12-5-6-14-15(9-12)23-11-22-14/h2,4-6,8-9,13,17H,1,3,7,10-11H2,(H,20,21)