N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-(3-cyano-1-cyclohexyl-4,5-dimethyl-2-pyrrolyl)-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)-2-(3-ketopiperazin-1-ium-1-yl)acetamide Formula: C19H28N5O2+ MolecularWeight: 358.45792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCNC(=O)C2)C3CCCCC3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCNC(=O)C2)C3CCCCC3)C

InChI

InChI=1S/C19H27N5O2/c1-13-14(2)24(15-6-4-3-5-7-15)19(16(13)10-20)22-18(26)12-23-9-8-21-17(25)11-23/h15H,3-9,11-12H2,1-2H3,(H,21,25)(H,22,26)/p+1