1-(1,3-benzodioxol-4-ylmethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-(1,3-benzodioxol-4-ylmethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-(1,3-benzodioxol-4-ylmethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-4-carboxamide CAS Name: 1-(1,3-benzodioxol-4-ylmethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-(1,3-benzodioxol-4-ylmethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(1,3-benzodioxol-4-ylmethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]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=CC(=C2)C3=CC=NN3)CC4=C5C(=CC=C4)OCO5

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC(=C2)C3=CC=NN3)CC4=C5C(=CC=C4)OCO5

InChI

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