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

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-[(4-chlorophenyl)methyl]ethanamide Openeye Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[(4-chlorophenyl)methyl]acetamide CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-[(4-chlorophenyl)methyl]acetamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[(4-chlorophenyl)methyl]acetamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(4-chlorobenzyl)acetamide Formula: C21H31ClN3O2+ MolecularWeight: 392.94274

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H30ClN3O2/c22-19-7-5-17(6-8-19)15-23-20(26)16-24-13-9-18(10-14-24)21(27)25-11-3-1-2-4-12-25/h5-8,18H,1-4,9-16H2,(H,23,26)/p+1