N-(2-cyanoethyl)-2-[4-[2-(2,3-dimethylphenoxy)ethanoyl]piperazin-1-ium-1-yl]-N-methyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[4-[2-(2,3-dimethylphenoxy)ethanoyl]piperazin-1-ium-1-yl]-N-methyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[4-[2-(2,3-dimethylphenoxy)acetyl]piperazin-1-ium-1-yl]-N-methyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[4-[2-(2,3-dimethylphenoxy)-1-oxoethyl]-1-piperazin-1-iumyl]-N-methylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[4-[2-(2,3-dimethylphenoxy)acetyl]piperazin-1-ium-1-yl]-N-methylacetamide Traditional Name: N-(2-cyanoethyl)-2-[4-[2-(2,3-dimethylphenoxy)acetyl]piperazin-1-ium-1-yl]-N-methyl-acetamide Formula: C20H29N4O3+ MolecularWeight: 373.46926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCC(=O)N2CC[NH+](CC2)CC(=O)N(C)CCC#N)C

Isomeric SMILES

CC1=C(C(=CC=C1)OCC(=O)N2CC[NH+](CC2)CC(=O)N(C)CCC#N)C

InChI

InChI=1S/C20H28N4O3/c1-16-6-4-7-18(17(16)2)27-15-20(26)24-12-10-23(11-13-24)14-19(25)22(3)9-5-8-21/h4,6-7H,5,9-15H2,1-3H3/p+1