2-[4-[2-[2-cyanoethyl-(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]-N-prop-2-enyl-ethanamide

Systemtic Name: 2-[4-[2-[2-cyanoethyl-(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[4-[2-[N-(2-cyanoethyl)-3,4-dimethyl-anilino]-2-oxo-ethyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[2-[N-(2-cyanoethyl)-3,4-dimethylanilino]-2-oxoethyl]-1-piperazin-1-iumyl]-N-prop-2-enylacetamide IUPAC Name: 2-[4-[2-[N-(2-cyanoethyl)-3,4-dimethylanilino]-2-oxoethyl]piperazin-1-ium-1-yl]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[4-[2-[N-(2-cyanoethyl)-3,4-dimethyl-anilino]-2-keto-ethyl]piperazin-1-ium-1-yl]acetamide Formula: C22H32N5O2+ MolecularWeight: 398.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(CCC#N)C(=O)CN2CC[NH+](CC2)CC(=O)NCC=C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(CCC#N)C(=O)CN2CC[NH+](CC2)CC(=O)NCC=C)C

InChI

InChI=1S/C22H31N5O2/c1-4-9-24-21(28)16-25-11-13-26(14-12-25)17-22(29)27(10-5-8-23)20-7-6-18(2)19(3)15-20/h4,6-7,15H,1,5,9-14,16-17H2,2-3H3,(H,24,28)/p+1