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

Systemtic Name: N-(6-methyl-1,3-benzodioxol-5-yl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-(6-methyl-1,3-benzodioxol-5-yl)acetamide CAS Name: N-(6-methyl-1,3-benzodioxol-5-yl)-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-(6-methyl-1,3-benzodioxol-5-yl)acetamide Traditional Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-(6-methyl-1,3-benzodioxol-5-yl)acetamide Formula: C22H27N2O3+ MolecularWeight: 367.46138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1NC(=O)C[NH+]3CCC(CC3)CC4=CC=CC=C4)OCO2

Isomeric SMILES

CC1=CC2=C(C=C1NC(=O)C[NH+]3CCC(CC3)CC4=CC=CC=C4)OCO2

InChI

InChI=1S/C22H26N2O3/c1-16-11-20-21(27-15-26-20)13-19(16)23-22(25)14-24-9-7-18(8-10-24)12-17-5-3-2-4-6-17/h2-6,11,13,18H,7-10,12,14-15H2,1H3,(H,23,25)/p+1