3-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-(3-chlorophenyl)propanamide

Systemtic Name: 3-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-(3-chlorophenyl)propanamide Openeye Name: 3-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(3-chlorophenyl)propanamide CAS Name: 3-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-(3-chlorophenyl)propanamide IUPAC Name: 3-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(3-chlorophenyl)propanamide Traditional Name: 3-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(3-chlorophenyl)propionamide Formula: C21H31ClN3O2+ MolecularWeight: 392.94274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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