N-[[(3R)-1-(1H-indol-3-ylmethyl)piperidin-1-ium-3-yl]methyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[(3R)-1-(1H-indol-3-ylmethyl)piperidin-1-ium-3-yl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[(3R)-1-(1H-indol-3-ylmethyl)piperidin-1-ium-3-yl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[(3R)-1-(1H-indol-3-ylmethyl)-3-piperidin-1-iumyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[(3R)-1-(1H-indol-3-ylmethyl)piperidin-1-ium-3-yl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[(3R)-1-(1H-indol-3-ylmethyl)piperidin-1-ium-3-yl]methyl]-piperonylamide Formula: C23H26N3O3+ MolecularWeight: 392.47084

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CNC3=CC=CC=C32)CNC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CNC3=CC=CC=C32)CNC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H25N3O3/c27-23(17-7-8-21-22(10-17)29-15-28-21)25-11-16-4-3-9-26(13-16)14-18-12-24-20-6-2-1-5-19(18)20/h1-2,5-8,10,12,16,24H,3-4,9,11,13-15H2,(H,25,27)/p+1/t16-/m1/s1