2-chloranyl-N-[(2S)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-yl]benzamide

Systemtic Name: 2-chloranyl-N-[(2S)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-yl]benzamide Openeye Name: N-[(1S)-2-(4-benzylpiperazin-4-ium-1-yl)-1-methyl-2-oxo-ethyl]-2-chloro-benzamide CAS Name: 2-chloro-N-[(2S)-1-oxo-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]propan-2-yl]benzamide IUPAC Name: N-[(2S)-1-(4-benzylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]-2-chlorobenzamide Traditional Name: N-[(1S)-2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-1-methyl-ethyl]-2-chloro-benzamide Formula: C21H25ClN3O2+ MolecularWeight: 386.8951

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

C[C@@H](C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H24ClN3O2/c1-16(23-20(26)18-9-5-6-10-19(18)22)21(27)25-13-11-24(12-14-25)15-17-7-3-2-4-8-17/h2-10,16H,11-15H2,1H3,(H,23,26)/p+1/t16-/m0/s1