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

Systemtic Name: 2-[4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperazine-1,4-diium-1-yl]-N-prop-2-ynyl-ethanamide Openeye Name: 2-[4-[2-(2,6-dimethylanilino)-2-oxo-ethyl]piperazine-1,4-diium-1-yl]-N-prop-2-ynyl-acetamide CAS Name: 2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-piperazine-1,4-diiumyl]-N-prop-2-ynylacetamide IUPAC Name: 2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-prop-2-ynylacetamide Traditional Name: 2-[4-[2-(2,6-dimethylanilino)-2-keto-ethyl]piperazine-1,4-diium-1-yl]-N-propargyl-acetamide Formula: C19H28N4O2+2 MolecularWeight: 344.45122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CC[NH+](CC2)CC(=O)NCC#C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CC[NH+](CC2)CC(=O)NCC#C

InChI

InChI=1S/C19H26N4O2/c1-4-8-20-17(24)13-22-9-11-23(12-10-22)14-18(25)21-19-15(2)6-5-7-16(19)3/h1,5-7H,8-14H2,2-3H3,(H,20,24)(H,21,25)/p+2