2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-[(1R)-1,2-diphenylethyl]ethanamide

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-[(1R)-1,2-diphenylethyl]ethanamide Openeye Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[(1R)-1,2-diphenylethyl]acetamide CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-[(1R)-1,2-diphenylethyl]acetamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[(1R)-1,2-diphenylethyl]acetamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[(1R)-1,2-diphenylethyl]acetamide Formula: C28H38N3O2+ MolecularWeight: 448.62022

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)NC(CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)N[C@H](CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H37N3O2/c32-27(29-26(24-13-7-4-8-14-24)21-23-11-5-3-6-12-23)22-30-19-15-25(16-20-30)28(33)31-17-9-1-2-10-18-31/h3-8,11-14,25-26H,1-2,9-10,15-22H2,(H,29,32)/p+1/t26-/m1/s1