2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-(5-chloranyl-2-cyano-phenyl)ethanamide

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-(5-chloranyl-2-cyano-phenyl)ethanamide Openeye Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(5-chloro-2-cyano-phenyl)acetamide CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-(5-chloro-2-cyanophenyl)acetamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(5-chloro-2-cyanophenyl)acetamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(5-chloro-2-cyano-phenyl)acetamide Formula: C21H28ClN4O2+ MolecularWeight: 403.92562

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)NC3=C(C=CC(=C3)Cl)C#N

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)NC3=C(C=CC(=C3)Cl)C#N

InChI

InChI=1S/C21H27ClN4O2/c22-18-6-5-17(14-23)19(13-18)24-20(27)15-25-11-7-16(8-12-25)21(28)26-9-3-1-2-4-10-26/h5-6,13,16H,1-4,7-12,15H2,(H,24,27)/p+1