2-[4-(3-methylbut-2-enoyl)piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-(3-methylbut-2-enoyl)piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(3-methylbut-2-enoyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(3-methyl-1-oxobut-2-enyl)-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(3-methylbut-2-enoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-(3-methylbut-2-enoyl)piperazin-1-ium-1-yl]acetamide Formula: C18H26N3O2+ MolecularWeight: 316.41794

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)N1CC[NH+](CC1)CC(=O)NCC2=CC=CC=C2)C

Isomeric SMILES

CC(=CC(=O)N1CC[NH+](CC1)CC(=O)NCC2=CC=CC=C2)C

InChI

InChI=1S/C18H25N3O2/c1-15(2)12-18(23)21-10-8-20(9-11-21)14-17(22)19-13-16-6-4-3-5-7-16/h3-7,12H,8-11,13-14H2,1-2H3,(H,19,22)/p+1