4-morpholin-4-yl-3-nitro-N-[4-(phenylmethyl)piperazin-4-ium-1-yl]benzamide

Systemtic Name: 4-morpholin-4-yl-3-nitro-N-[4-(phenylmethyl)piperazin-4-ium-1-yl]benzamide Openeye Name: N-(4-benzylpiperazin-4-ium-1-yl)-4-morpholino-3-nitro-benzamide CAS Name: 4-(4-morpholinyl)-3-nitro-N-[4-(phenylmethyl)-1-piperazin-4-iumyl]benzamide IUPAC Name: N-(4-benzylpiperazin-4-ium-1-yl)-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-(4-benzylpiperazin-4-ium-1-yl)-4-morpholino-3-nitro-benzamide Formula: C22H28N5O4+ MolecularWeight: 426.48882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H27N5O4/c28-22(23-26-10-8-24(9-11-26)17-18-4-2-1-3-5-18)19-6-7-20(21(16-19)27(29)30)25-12-14-31-15-13-25/h1-7,16H,8-15,17H2,(H,23,28)/p+1