(2R)-N-(tert-butylcarbamoyl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propanamide

Systemtic Name: (2R)-N-(tert-butylcarbamoyl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propanamide Openeye Name: (2R)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(tert-butylcarbamoyl)propanamide CAS Name: (2R)-N-[(tert-butylamino)-oxomethyl]-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]propanamide IUPAC Name: (2R)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(tert-butylcarbamoyl)propanamide Traditional Name: (2R)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(tert-butylcarbamoyl)propionamide Formula: C19H32N4O2+2 MolecularWeight: 348.48298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N4O2/c1-15(17(24)20-18(25)21-19(2,3)4)23-12-10-22(11-13-23)14-16-8-6-5-7-9-16/h5-9,15H,10-14H2,1-4H3,(H2,20,21,24,25)/p+2/t15-/m1/s1