1-(1,3-benzodioxol-4-ylmethyl)-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-(1,3-benzodioxol-4-ylmethyl)-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-(1,3-benzodioxol-4-ylmethyl)-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-(1,3-benzodioxol-4-ylmethyl)-N-[4-(1-pyrazolyl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-(1,3-benzodioxol-4-ylmethyl)-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-(1,3-benzodioxol-4-ylmethyl)-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-4-carboxamide Formula: C23H25N4O3+ MolecularWeight: 405.4696

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=C(C=C2)N3C=CC=N3)CC4=C5C(=CC=C4)OCO5

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=C(C=C2)N3C=CC=N3)CC4=C5C(=CC=C4)OCO5

InChI

InChI=1S/C23H24N4O3/c28-23(25-19-5-7-20(8-6-19)27-12-2-11-24-27)17-9-13-26(14-10-17)15-18-3-1-4-21-22(18)30-16-29-21/h1-8,11-12,17H,9-10,13-16H2,(H,25,28)/p+1