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

Systemtic Name: (2S)-2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-(2-ethoxyphenyl)-2-phenyl-ethanamide Openeye Name: (2S)-2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(2-ethoxyphenyl)-2-phenyl-acetamide CAS Name: (2S)-2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-(2-ethoxyphenyl)-2-phenylacetamide IUPAC Name: (2S)-2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(2-ethoxyphenyl)-2-phenylacetamide Traditional Name: (2S)-2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-o-phenetyl-2-phenyl-acetamide Formula: C28H38N3O3+ MolecularWeight: 464.61962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)[NH+]3CCC(CC3)C(=O)N4CCCCCC4

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)[C@H](C2=CC=CC=C2)[NH+]3CCC(CC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C28H37N3O3/c1-2-34-25-15-9-8-14-24(25)29-27(32)26(22-12-6-5-7-13-22)30-20-16-23(17-21-30)28(33)31-18-10-3-4-11-19-31/h5-9,12-15,23,26H,2-4,10-11,16-21H2,1H3,(H,29,32)/p+1/t26-/m0/s1