2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-(3-chloranyl-4-cyano-phenyl)ethanamide

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-(3-chloranyl-4-cyano-phenyl)ethanamide Openeye Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(3-chloro-4-cyano-phenyl)acetamide CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-(3-chloro-4-cyanophenyl)acetamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(3-chloro-4-cyanophenyl)acetamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(3-chloro-4-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=CC(=C(C=C3)C#N)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN4O2/c22-19-13-18(6-5-17(19)14-23)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