(2R)-2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-(2-phenylphenyl)propanamide

Systemtic Name: (2R)-2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-(2-phenylphenyl)propanamide Openeye Name: (2R)-2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(2-phenylphenyl)propanamide CAS Name: (2R)-2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-(2-phenylphenyl)propanamide IUPAC Name: (2R)-2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(2-phenylphenyl)propanamide Traditional Name: (2R)-2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(2-phenylphenyl)propionamide Formula: C27H36N3O2+ MolecularWeight: 434.59364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)[NH+]3CCC(CC3)C(=O)N4CCCCCC4

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C2=CC=CC=C2)[NH+]3CCC(CC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C27H35N3O2/c1-21(26(31)28-25-14-8-7-13-24(25)22-11-5-4-6-12-22)29-19-15-23(16-20-29)27(32)30-17-9-2-3-10-18-30/h4-8,11-14,21,23H,2-3,9-10,15-20H2,1H3,(H,28,31)/p+1/t21-/m1/s1