(2S)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]-N-(propan-2-ylcarbamoyl)propanamide

Systemtic Name: (2S)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]-N-(propan-2-ylcarbamoyl)propanamide Openeye Name: (2S)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(isopropylcarbamoyl)propanamide CAS Name: (2S)-N-[oxo-(propan-2-ylamino)methyl]-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]propanamide IUPAC Name: (2S)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(propan-2-ylcarbamoyl)propanamide Traditional Name: (2S)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(isopropylcarbamoyl)propionamide Formula: C18H30N4O2+2 MolecularWeight: 334.4564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O2/c1-14(2)19-18(24)20-17(23)15(3)22-11-9-21(10-12-22)13-16-7-5-4-6-8-16/h4-8,14-15H,9-13H2,1-3H3,(H2,19,20,23,24)/p+2/t15-/m0/s1