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

Systemtic Name: N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethanamide Openeye Name: N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]acetamide CAS Name: N-(3-cyano-1-cyclohexyl-4,5-dimethyl-2-pyrrolyl)-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]acetamide IUPAC Name: N-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]acetamide Traditional Name: N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)-2-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]acetamide Formula: C25H39N6O2+ MolecularWeight: 455.61616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CN2CC[NH+](CC2)CC(=O)N3CCCC3)C4CCCCC4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CN2CC[NH+](CC2)CC(=O)N3CCCC3)C4CCCCC4)C

InChI

InChI=1S/C25H38N6O2/c1-19-20(2)31(21-8-4-3-5-9-21)25(22(19)16-26)27-23(32)17-28-12-14-29(15-13-28)18-24(33)30-10-6-7-11-30/h21H,3-15,17-18H2,1-2H3,(H,27,32)/p+1