N-[[(3R)-1-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-yl]methyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[(3R)-1-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-yl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[(3R)-1-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-yl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[(3R)-1-[1-(2-pyridinylmethyl)-4-piperidin-1-iumyl]-3-piperidin-1-iumyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[(3R)-1-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-yl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[(3R)-1-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-yl]methyl]-piperonylamide Formula: C25H34N4O3+2 MolecularWeight: 438.56246

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CC[NH+](CC2)CC3=CC=CC=N3)CNC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CC[NH+](CC2)CC3=CC=CC=N3)CNC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H32N4O3/c30-25(20-6-7-23-24(14-20)32-18-31-23)27-15-19-4-3-11-29(16-19)22-8-12-28(13-9-22)17-21-5-1-2-10-26-21/h1-2,5-7,10,14,19,22H,3-4,8-9,11-13,15-18H2,(H,27,30)/p+2/t19-/m1/s1