2-(4-phenethylpiperazin-1-ium-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamide

Systemtic Name: 2-(4-phenethylpiperazin-1-ium-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamide Openeye Name: 2-(4-phenethylpiperazin-1-ium-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide CAS Name: 2-(4-phenethyl-1-piperazin-1-iumyl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide IUPAC Name: 2-(4-phenethylpiperazin-1-ium-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide Traditional Name: 2-(4-phenethylpiperazin-1-ium-1-yl)-N-(2,4,5-trimethoxybenzyl)acetamide Formula: C24H34N3O4+ MolecularWeight: 428.54446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CNC(=O)C[NH+]2CCN(CC2)CCC3=CC=CC=C3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1CNC(=O)C[NH+]2CCN(CC2)CCC3=CC=CC=C3)OC)OC

InChI

InChI=1S/C24H33N3O4/c1-29-21-16-23(31-3)22(30-2)15-20(21)17-25-24(28)18-27-13-11-26(12-14-27)10-9-19-7-5-4-6-8-19/h4-8,15-16H,9-14,17-18H2,1-3H3,(H,25,28)/p+1