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

Systemtic Name: N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-2-(3,4,5-trimethoxyphenyl)ethanamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(3,4,5-trimethoxyphenyl)acetamide CAS Name: N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-2-(3,4,5-trimethoxyphenyl)acetamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(3,4,5-trimethoxyphenyl)acetamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(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)CC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

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