(2S)-N-(2-methylpropyl)-2-[4-(phenylcarbonyl)piperidin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(2-methylpropyl)-2-[4-(phenylcarbonyl)piperidin-1-ium-1-yl]propanamide Openeye Name: (2S)-2-(4-benzoylpiperidin-1-ium-1-yl)-N-isobutyl-propanamide CAS Name: (2S)-2-(4-benzoyl-1-piperidin-1-iumyl)-N-(2-methylpropyl)propanamide IUPAC Name: (2S)-2-(4-benzoylpiperidin-1-ium-1-yl)-N-(2-methylpropyl)propanamide Traditional Name: (2S)-2-(4-benzoylpiperidin-1-ium-1-yl)-N-isobutyl-propionamide Formula: C19H29N2O2+ MolecularWeight: 317.44576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)[NH+]1CCC(CC1)C(=O)C2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)NCC(C)C)[NH+]1CCC(CC1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H28N2O2/c1-14(2)13-20-19(23)15(3)21-11-9-17(10-12-21)18(22)16-7-5-4-6-8-16/h4-8,14-15,17H,9-13H2,1-3H3,(H,20,23)/p+1/t15-/m0/s1