2-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(3-ethylpent-1-yn-3-yl)ethanamide

Systemtic Name: 2-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(3-ethylpent-1-yn-3-yl)ethanamide Openeye Name: N-(1,1-diethylprop-2-ynyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: 2-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]-N-(3-ethylpent-1-yn-3-yl)acetamide IUPAC Name: 2-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(3-ethylpent-1-yn-3-yl)acetamide Traditional Name: N-(1,1-diethylprop-2-ynyl)-2-(4-veratrylpiperazine-1,4-diium-1-yl)acetamide Formula: C22H35N3O3+2 MolecularWeight: 389.5316

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)C[NH+]1CC[NH+](CC1)CC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCC(CC)(C#C)NC(=O)C[NH+]1CC[NH+](CC1)CC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C22H33N3O3/c1-6-22(7-2,8-3)23-21(26)17-25-13-11-24(12-14-25)16-18-9-10-19(27-4)20(15-18)28-5/h1,9-10,15H,7-8,11-14,16-17H2,2-5H3,(H,23,26)/p+2