N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-2-(1,3-benzodioxol-5-yl)ethanamide

Systemtic Name: N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-2-(1,3-benzodioxol-5-yl)ethanamide Openeye Name: N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-2-(1,3-benzodioxol-5-yl)acetamide CAS Name: N-[[2-(1-azocanyl)-3-pyridin-1-iumyl]methyl]-2-(1,3-benzodioxol-5-yl)acetamide IUPAC Name: N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-2-(1,3-benzodioxol-5-yl)acetamide Traditional Name: N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-2-(1,3-benzodioxol-5-yl)acetamide Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C2=C(C=CC=[NH+]2)CNC(=O)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCCN(CCC1)C2=C(C=CC=[NH+]2)CNC(=O)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H27N3O3/c26-21(14-17-8-9-19-20(13-17)28-16-27-19)24-15-18-7-6-10-23-22(18)25-11-4-2-1-3-5-12-25/h6-10,13H,1-5,11-12,14-16H2,(H,24,26)/p+1