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

Systemtic Name: N-(3-ethylpent-1-yn-3-yl)-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(1,1-diethylprop-2-ynyl)-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(3-ethylpent-1-yn-3-yl)-2-[4-[(4-methoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(3-ethylpent-1-yn-3-yl)-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(1,1-diethylprop-2-ynyl)-2-(4-p-anisylpiperazine-1,4-diium-1-yl)acetamide Formula: C21H33N3O2+2 MolecularWeight: 359.50562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O2/c1-5-21(6-2,7-3)22-20(25)17-24-14-12-23(13-15-24)16-18-8-10-19(26-4)11-9-18/h1,8-11H,6-7,12-17H2,2-4H3,(H,22,25)/p+2