N-(4-chloranyl-3-nitro-phenyl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(4-chloranyl-3-nitro-phenyl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(4-chloro-3-nitro-phenyl)acetamide CAS Name: N-(4-chloro-3-nitrophenyl)-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(4-chloro-3-nitrophenyl)acetamide Traditional Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(4-chloro-3-nitro-phenyl)acetamide Formula: C19H23ClN4O3+2 MolecularWeight: 390.86392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H21ClN4O3/c20-17-7-6-16(12-18(17)24(26)27)21-19(25)14-23-10-8-22(9-11-23)13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2,(H,21,25)/p+2