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

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-(4-chlorophenyl)ethanamide Openeye Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(4-chlorophenyl)acetamide CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-(4-chlorophenyl)acetamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(4-chlorophenyl)acetamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(4-chlorophenyl)acetamide Formula: C20H29ClN3O2+ MolecularWeight: 378.91616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28ClN3O2/c21-17-5-7-18(8-6-17)22-19(25)15-23-13-9-16(10-14-23)20(26)24-11-3-1-2-4-12-24/h5-8,16H,1-4,9-15H2,(H,22,25)/p+1