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

Systemtic Name: 2-[4-(phenylmethyl)piperidin-1-ium-1-yl]-N-(3,4,5-trimethoxyphenyl)ethanamide Openeye Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide CAS Name: 2-[4-(phenylmethyl)-1-piperidin-1-iumyl]-N-(3,4,5-trimethoxyphenyl)acetamide IUPAC Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide Traditional Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide Formula: C23H31N2O4+ MolecularWeight: 399.50324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)C[NH+]2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)C[NH+]2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H30N2O4/c1-27-20-14-19(15-21(28-2)23(20)29-3)24-22(26)16-25-11-9-18(10-12-25)13-17-7-5-4-6-8-17/h4-8,14-15,18H,9-13,16H2,1-3H3,(H,24,26)/p+1