2-[4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperazine-1,4-diium-1-yl]-N-pentyl-ethanamide

Systemtic Name: 2-[4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperazine-1,4-diium-1-yl]-N-pentyl-ethanamide Openeye Name: 2-[4-[2-(2,6-dimethylanilino)-2-oxo-ethyl]piperazine-1,4-diium-1-yl]-N-pentyl-acetamide CAS Name: 2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-piperazine-1,4-diiumyl]-N-pentylacetamide IUPAC Name: 2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-pentylacetamide Traditional Name: N-amyl-2-[4-[2-(2,6-dimethylanilino)-2-keto-ethyl]piperazine-1,4-diium-1-yl]acetamide Formula: C21H36N4O2+2 MolecularWeight: 376.53614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C[NH+]1CC[NH+](CC1)CC(=O)NC2=C(C=CC=C2C)C

Isomeric SMILES

CCCCCNC(=O)C[NH+]1CC[NH+](CC1)CC(=O)NC2=C(C=CC=C2C)C

InChI

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