N-[[(3R)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-3-yl]methyl]-1H-indole-2-carboxamide

Systemtic Name: N-[[(3R)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-3-yl]methyl]-1H-indole-2-carboxamide Openeye Name: N-[[(3R)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-3-yl]methyl]-1H-indole-2-carboxamide CAS Name: N-[[(3R)-1-(1,3-benzodioxol-4-ylmethyl)-3-piperidin-1-iumyl]methyl]-1H-indole-2-carboxamide IUPAC Name: N-[[(3R)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-3-yl]methyl]-1H-indole-2-carboxamide Traditional Name: N-[[(3R)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-3-yl]methyl]-1H-indole-2-carboxamide Formula: C23H26N3O3+ MolecularWeight: 392.47084

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=C3C(=CC=C2)OCO3)CNC(=O)C4=CC5=CC=CC=C5N4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=C3C(=CC=C2)OCO3)CNC(=O)C4=CC5=CC=CC=C5N4

InChI

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