N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-N-methyl-ethanamide

Systemtic Name: N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-N-methyl-ethanamide Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[2-(tert-butylamino)-2-oxo-ethyl]-N-methyl-acetamide CAS Name: 2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylacetamide IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylacetamide Traditional Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[2-(tert-butylamino)-2-keto-ethyl]-N-methyl-acetamide Formula: C21H33N4O3+ MolecularWeight: 389.51172

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)N(C)CC(=O)NC(C)(C)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)N(C)CC(=O)NC(C)(C)C

InChI

InChI=1S/C21H32N4O3/c1-16(26)17-6-8-18(9-7-17)25-12-10-24(11-13-25)15-20(28)23(5)14-19(27)22-21(2,3)4/h6-9H,10-15H2,1-5H3,(H,22,27)/p+1