2-(azocan-1-ium-1-yl)-N-(1,3-benzodioxol-5-ylcarbamoyl)ethanamide

Systemtic Name: 2-(azocan-1-ium-1-yl)-N-(1,3-benzodioxol-5-ylcarbamoyl)ethanamide Openeye Name: 2-(azocan-1-ium-1-yl)-N-(1,3-benzodioxol-5-ylcarbamoyl)acetamide CAS Name: 2-(1-azocan-1-iumyl)-N-[(1,3-benzodioxol-5-ylamino)-oxomethyl]acetamide IUPAC Name: 2-(azocan-1-ium-1-yl)-N-(1,3-benzodioxol-5-ylcarbamoyl)acetamide Traditional Name: 2-(azocan-1-ium-1-yl)-N-(1,3-benzodioxol-5-ylcarbamoyl)acetamide Formula: C17H24N3O4+ MolecularWeight: 334.39016

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC(=O)NC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CCC[NH+](CCC1)CC(=O)NC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H23N3O4/c21-16(11-20-8-4-2-1-3-5-9-20)19-17(22)18-13-6-7-14-15(10-13)24-12-23-14/h6-7,10H,1-5,8-9,11-12H2,(H2,18,19,21,22)/p+1