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

Systemtic Name: N-[2-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[1-(3-phenylpropyl)-4-piperidin-1-iumyl]-3-pyrazolyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-piperonylamide Formula: C25H29N4O3+ MolecularWeight: 433.52276

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CC4=C(C=C3)OCO4)CCCC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CC4=C(C=C3)OCO4)CCCC5=CC=CC=C5

InChI

InChI=1S/C25H28N4O3/c30-25(20-8-9-22-23(17-20)32-18-31-22)27-24-10-13-26-29(24)21-11-15-28(16-12-21)14-4-7-19-5-2-1-3-6-19/h1-3,5-6,8-10,13,17,21H,4,7,11-12,14-16,18H2,(H,27,30)/p+1