2-[4-(2-chloranylprop-2-enyl)piperazine-1,4-diium-1-yl]-N-(2,3-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-(2-chloranylprop-2-enyl)piperazine-1,4-diium-1-yl]-N-(2,3-dimethylphenyl)ethanamide Openeye Name: 2-[4-(2-chloroallyl)piperazine-1,4-diium-1-yl]-N-(2,3-dimethylphenyl)acetamide CAS Name: 2-[4-(2-chloroprop-2-enyl)-1-piperazine-1,4-diiumyl]-N-(2,3-dimethylphenyl)acetamide IUPAC Name: 2-[4-(2-chloroprop-2-enyl)piperazine-1,4-diium-1-yl]-N-(2,3-dimethylphenyl)acetamide Traditional Name: 2-[4-(2-chloroallyl)piperazine-1,4-diium-1-yl]-N-(2,3-dimethylphenyl)acetamide Formula: C17H26ClN3O+2 MolecularWeight: 323.86084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24ClN3O/c1-13-5-4-6-16(15(13)3)19-17(22)12-21-9-7-20(8-10-21)11-14(2)18/h4-6H,2,7-12H2,1,3H3,(H,19,22)/p+2