N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide CAS Name: N-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-2-[(3S)-3-methyl-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide Traditional Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide Formula: C16H22N3O4+ MolecularWeight: 320.36358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)NC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC(=O)NC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H21N3O4/c1-11-3-2-6-19(8-11)9-15(20)18-16(21)17-12-4-5-13-14(7-12)23-10-22-13/h4-5,7,11H,2-3,6,8-10H2,1H3,(H2,17,18,20,21)/p+1/t11-/m0/s1