2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-(2-cyanophenyl)ethanamide

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-(2-cyanophenyl)ethanamide Openeye Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(2-cyanophenyl)acetamide CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-(2-cyanophenyl)acetamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(2-cyanophenyl)acetamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(2-cyanophenyl)acetamide Formula: C21H29N4O2+ MolecularWeight: 369.48056

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C#N

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C#N

InChI

InChI=1S/C21H28N4O2/c22-15-18-7-3-4-8-19(18)23-20(26)16-24-13-9-17(10-14-24)21(27)25-11-5-1-2-6-12-25/h3-4,7-8,17H,1-2,5-6,9-14,16H2,(H,23,26)/p+1