5-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]-1,3-benzodioxole-2-carboxylic acid

Systemtic Name: 5-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]-1,3-benzodioxole-2-carboxylic acid Openeye Name: 5-[4-[2-(4-piperidyl)ethyl]piperazin-1-yl]-1,3-benzodioxole-2-carboxylic acid CAS Name: 5-[4-[2-(4-piperidinyl)ethyl]-1-piperazinyl]-1,3-benzodioxole-2-carboxylic acid IUPAC Name: 5-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]-1,3-benzodioxole-2-carboxylic acid Traditional Name: 5-[4-[2-(4-piperidyl)ethyl]piperazino]-1,3-benzodioxole-2-carboxylic acid Formula: C19H27N3O4 MolecularWeight: 361.43538

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCN2CCN(CC2)C3=CC4=C(C=C3)OC(O4)C(=O)O

Isomeric SMILES

C1CNCCC1CCN2CCN(CC2)C3=CC4=C(C=C3)OC(O4)C(=O)O

InChI

InChI=1S/C19H27N3O4/c23-18(24)19-25-16-2-1-15(13-17(16)26-19)22-11-9-21(10-12-22)8-5-14-3-6-20-7-4-14/h1-2,13-14,19-20H,3-12H2,(H,23,24)