(2R)-N-(tert-butylcarbamoyl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(tert-butylcarbamoyl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]propanamide Openeye Name: (2R)-2-(4-benzylpiperidin-1-ium-1-yl)-N-(tert-butylcarbamoyl)propanamide CAS Name: (2R)-N-[(tert-butylamino)-oxomethyl]-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]propanamide IUPAC Name: (2R)-2-(4-benzylpiperidin-1-ium-1-yl)-N-(tert-butylcarbamoyl)propanamide Traditional Name: (2R)-2-(4-benzylpiperidin-1-ium-1-yl)-N-(tert-butylcarbamoyl)propionamide Formula: C20H32N3O2+ MolecularWeight: 346.48698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC(C)(C)C)[NH+]1CCC(CC1)CC2=CC=CC=C2

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCC(CC1)CC2=CC=CC=C2

InChI

InChI=1S/C20H31N3O2/c1-15(18(24)21-19(25)22-20(2,3)4)23-12-10-17(11-13-23)14-16-8-6-5-7-9-16/h5-9,15,17H,10-14H2,1-4H3,(H2,21,22,24,25)/p+1/t15-/m1/s1