N-(2-ethylphenyl)-2-[4-[2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-[2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: 2-[4-[2-(1,1-dimethylpropylamino)-2-oxo-ethyl]piperazine-1,4-diium-1-yl]-N-(2-ethylphenyl)acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: 2-[4-[2-(tert-amylamino)-2-keto-ethyl]piperazine-1,4-diium-1-yl]-N-(2-ethylphenyl)acetamide Formula: C21H36N4O2+2 MolecularWeight: 376.53614

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CC[NH+](CC2)CC(=O)NC(C)(C)CC

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CC[NH+](CC2)CC(=O)NC(C)(C)CC

InChI

InChI=1S/C21H34N4O2/c1-5-17-9-7-8-10-18(17)22-19(26)15-24-11-13-25(14-12-24)16-20(27)23-21(3,4)6-2/h7-10H,5-6,11-16H2,1-4H3,(H,22,26)(H,23,27)/p+2