N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-benzylpiperidin-1-ium-1-yl)acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-benzylpiperidin-1-ium-1-yl)acetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-benzylpiperidin-1-ium-1-yl)acetamide Formula: C23H27N2O4+ MolecularWeight: 395.47148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH+]3CCC(CC3)CC4=CC=CC=C4)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH+]3CCC(CC3)CC4=CC=CC=C4)OCO2

InChI

InChI=1S/C23H26N2O4/c1-16(26)19-12-21-22(29-15-28-21)13-20(19)24-23(27)14-25-9-7-18(8-10-25)11-17-5-3-2-4-6-17/h2-6,12-13,18H,7-11,14-15H2,1H3,(H,24,27)/p+1