2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(3-ethylpent-1-yn-3-yl)ethanamide

Systemtic Name: 2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(3-ethylpent-1-yn-3-yl)ethanamide Openeye Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(1,1-diethylprop-2-ynyl)acetamide CAS Name: 2-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]-N-(3-ethylpent-1-yn-3-yl)acetamide IUPAC Name: 2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-N-(3-ethylpent-1-yn-3-yl)acetamide Traditional Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(1,1-diethylprop-2-ynyl)acetamide Formula: C20H29ClN3O+ MolecularWeight: 362.91676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28ClN3O/c1-5-20(6-2,7-3)22-19(25)15-23-10-12-24(13-11-23)18-14-17(21)9-8-16(18)4/h1,8-9,14H,6-7,10-13,15H2,2-4H3,(H,22,25)/p+1