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

Systemtic Name: (2S)-2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-(4-methylphenyl)-2-phenyl-ethanamide Openeye Name: (2S)-2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-2-phenyl-N-(p-tolyl)acetamide CAS Name: (2S)-2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-(4-methylphenyl)-2-phenylacetamide IUPAC Name: (2S)-2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(4-methylphenyl)-2-phenylacetamide Traditional Name: (2S)-2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-2-phenyl-N-(p-tolyl)acetamide Formula: C27H36N3O2+ MolecularWeight: 434.59364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)[NH+]3CCC(CC3)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)[NH+]3CCC(CC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C27H35N3O2/c1-21-11-13-24(14-12-21)28-26(31)25(22-9-5-4-6-10-22)29-19-15-23(16-20-29)27(32)30-17-7-2-3-8-18-30/h4-6,9-14,23,25H,2-3,7-8,15-20H2,1H3,(H,28,31)/p+1/t25-/m0/s1