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1-[1,3-benzodioxol-5-yl(thiophen-2-yl)methyl]piperidine-4-carboxylic acid

1-[1,3-benzodioxol-5-yl(thiophen-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name:1-[1,3-benzodioxol-5-yl(thiophen-2-yl)methyl]piperidine-4-carboxylic acid
Openeye Name:1-[1,3-benzodioxol-5-yl(2-thienyl)methyl]piperidine-4-carboxylic acid
CAS Name:1-[1,3-benzodioxol-5-yl(thiophen-2-yl)methyl]-4-piperidinecarboxylic acid
IUPAC Name:1-[1,3-benzodioxol-5-yl(thiophen-2-yl)methyl]piperidine-4-carboxylic acid
Traditional Name:1-[1,3-benzodioxol-5-yl(2-thienyl)methyl]isonipecotic acid
Formula: C18H19NO4S
MolecularWeight: 345.41276
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC3=C(C=C2)OCO3)C4=CC=CS4


Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC3=C(C=C2)OCO3)C4=CC=CS4


InChI

InChI=1S/C18H19NO4S/c20-18(21)12-5-7-19(8-6-12)17(16-2-1-9-24-16)13-3-4-14-15(10-13)23-11-22-14/h1-4,9-10,12,17H,5-8,11H2,(H,20,21)


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