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

Systemtic Name: N-(3-ethylpent-1-yn-3-yl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(1,1-diethylprop-2-ynyl)acetamide CAS Name: N-(3-ethylpent-1-yn-3-yl)-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide Traditional Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(1,1-diethylprop-2-ynyl)acetamide Formula: C20H31N3O+2 MolecularWeight: 329.47964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O/c1-4-20(5-2,6-3)21-19(24)17-23-14-12-22(13-15-23)16-18-10-8-7-9-11-18/h1,7-11H,5-6,12-17H2,2-3H3,(H,21,24)/p+2