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

Systemtic Name: 1-[1,3-benzodioxol-5-yl(thiophen-3-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl(3-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl(3-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl(thiophen-3-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl(3-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=CSC=C4)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO4S/c20-18(21)13-2-1-6-19(9-13)17(14-5-7-24-10-14)12-3-4-15-16(8-12)23-11-22-15/h3-5,7-8,10,13,17H,1-2,6,9,11H2,(H,20,21)