2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-[2-(3-chlorophenyl)ethyl]ethanamide

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-[2-(3-chlorophenyl)ethyl]ethanamide Openeye Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[2-(3-chlorophenyl)ethyl]acetamide CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-[2-(3-chlorophenyl)ethyl]acetamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[2-(3-chlorophenyl)ethyl]acetamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[2-(3-chlorophenyl)ethyl]acetamide Formula: C22H33ClN3O2+ MolecularWeight: 406.96932

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)NCCC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)NCCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H32ClN3O2/c23-20-7-5-6-18(16-20)8-11-24-21(27)17-25-14-9-19(10-15-25)22(28)26-12-3-1-2-4-13-26/h5-7,16,19H,1-4,8-15,17H2,(H,24,27)/p+1