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

Systemtic Name: N-[2-[1-(2-piperidin-1-ium-1-ylethanoyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[1-(2-piperidin-1-ium-1-ylacetyl)-4-piperidyl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[1-[1-oxo-2-(1-piperidin-1-iumyl)ethyl]-4-piperidinyl]-3-pyrazolyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[1-(2-piperidin-1-ium-1-ylacetyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[1-(2-piperidin-1-ium-1-ylacetyl)-4-piperidyl]pyrazol-3-yl]-piperonylamide Formula: C23H30N5O4+ MolecularWeight: 440.5154

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)N2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)N2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H29N5O4/c29-22(15-26-10-2-1-3-11-26)27-12-7-18(8-13-27)28-21(6-9-24-28)25-23(30)17-4-5-19-20(14-17)32-16-31-19/h4-6,9,14,18H,1-3,7-8,10-13,15-16H2,(H,25,30)/p+1