N-[(2S)-3-methyl-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]butan-2-yl]-2-phenyl-ethanamide

Systemtic Name: N-[(2S)-3-methyl-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]butan-2-yl]-2-phenyl-ethanamide Openeye Name: N-[(1S)-1-(4-benzylpiperazin-4-ium-1-carbonyl)-2-methyl-propyl]-2-phenyl-acetamide CAS Name: N-[(2S)-3-methyl-1-oxo-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]butan-2-yl]-2-phenylacetamide IUPAC Name: N-[(2S)-1-(4-benzylpiperazin-4-ium-1-yl)-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide Traditional Name: N-[(1S)-1-(4-benzylpiperazin-4-ium-1-carbonyl)-2-methyl-propyl]-2-phenyl-acetamide Formula: C24H32N3O2+ MolecularWeight: 394.52978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C24H31N3O2/c1-19(2)23(25-22(28)17-20-9-5-3-6-10-20)24(29)27-15-13-26(14-16-27)18-21-11-7-4-8-12-21/h3-12,19,23H,13-18H2,1-2H3,(H,25,28)/p+1/t23-/m0/s1