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

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-[2-(phenylcarbonyl)phenyl]ethanamide Openeye Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(2-benzoylphenyl)acetamide CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-(2-benzoylphenyl)acetamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(2-benzoylphenyl)acetamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(2-benzoylphenyl)acetamide Formula: C27H34N3O3+ MolecularWeight: 448.57716

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H33N3O3/c31-25(28-24-13-7-6-12-23(24)26(32)21-10-4-3-5-11-21)20-29-18-14-22(15-19-29)27(33)30-16-8-1-2-9-17-30/h3-7,10-13,22H,1-2,8-9,14-20H2,(H,28,31)/p+1