2-[4-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperazine-1,4-diium-1-yl]-N-hexyl-ethanamide

Systemtic Name: 2-[4-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperazine-1,4-diium-1-yl]-N-hexyl-ethanamide Openeye Name: 2-[4-[2-(2,3-dimethylanilino)-2-oxo-ethyl]piperazine-1,4-diium-1-yl]-N-hexyl-acetamide CAS Name: 2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]-1-piperazine-1,4-diiumyl]-N-hexylacetamide IUPAC Name: 2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-hexylacetamide Traditional Name: 2-[4-[2-(2,3-dimethylanilino)-2-keto-ethyl]piperazine-1,4-diium-1-yl]-N-hexyl-acetamide Formula: C22H38N4O2+2 MolecularWeight: 390.56272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36N4O2/c1-4-5-6-7-11-23-21(27)16-25-12-14-26(15-13-25)17-22(28)24-20-10-8-9-18(2)19(20)3/h8-10H,4-7,11-17H2,1-3H3,(H,23,27)(H,24,28)/p+2