2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)ethanamide

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)ethanamide Openeye Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)acetamide CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-(3-cyano-1-cyclohexyl-4,5-dimethyl-2-pyrrolyl)acetamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)acetamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)acetamide Formula: C27H42N5O2+ MolecularWeight: 468.65468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCC(CC2)C(=O)N3CCCCCC3)C4CCCCC4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCC(CC2)C(=O)N3CCCCCC3)C4CCCCC4)C

InChI

InChI=1S/C27H41N5O2/c1-20-21(2)32(23-10-6-5-7-11-23)26(24(20)18-28)29-25(33)19-30-16-12-22(13-17-30)27(34)31-14-8-3-4-9-15-31/h22-23H,3-17,19H2,1-2H3,(H,29,33)/p+1