1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-4-carboxamide CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-4-carboxamide Formula: C24H27N4O3+ MolecularWeight: 419.49618

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC(=C2)C3=CC=NN3)CC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC(=C2)C3=CC=NN3)CC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C24H26N4O3/c29-24(26-20-3-1-2-19(15-20)21-6-9-25-27-21)18-7-10-28(11-8-18)16-17-4-5-22-23(14-17)31-13-12-30-22/h1-6,9,14-15,18H,7-8,10-13,16H2,(H,25,27)(H,26,29)/p+1