N-[2-[1-[(2-chlorophenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[1-[(2-chlorophenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[1-[(2-chlorophenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[1-[(2-chlorophenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[1-[(2-chlorophenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[1-(2-chlorobenzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-piperonylamide Formula: C23H24ClN4O3+ MolecularWeight: 439.91466

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5Cl

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5Cl

InChI

InChI=1S/C23H23ClN4O3/c24-19-4-2-1-3-17(19)14-27-11-8-18(9-12-27)28-22(7-10-25-28)26-23(29)16-5-6-20-21(13-16)31-15-30-20/h1-7,10,13,18H,8-9,11-12,14-15H2,(H,26,29)/p+1