2-[4-[2-[(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]-N-prop-2-enyl-ethanamide

Systemtic Name: 2-[4-[2-[(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[4-[2-[(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxo-ethyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[2-[(3-cyano-1-cyclohexyl-4,5-dimethyl-2-pyrrolyl)amino]-2-oxoethyl]-1-piperazin-1-iumyl]-N-prop-2-enylacetamide IUPAC Name: 2-[4-[2-[(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl]piperazin-1-ium-1-yl]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[4-[2-[(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-keto-ethyl]piperazin-1-ium-1-yl]acetamide Formula: C24H37N6O2+ MolecularWeight: 441.58958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CN2CC[NH+](CC2)CC(=O)NCC=C)C3CCCCC3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CN2CC[NH+](CC2)CC(=O)NCC=C)C3CCCCC3)C

InChI

InChI=1S/C24H36N6O2/c1-4-10-26-22(31)16-28-11-13-29(14-12-28)17-23(32)27-24-21(15-25)18(2)19(3)30(24)20-8-6-5-7-9-20/h4,20H,1,5-14,16-17H2,2-3H3,(H,26,31)(H,27,32)/p+1