1-methyl-5-nitro-2-[2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethyl]benzimidazole

Systemtic Name: 1-methyl-5-nitro-2-[2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethyl]benzimidazole Openeye Name: 2-[2-(4-benzylpiperazin-1-ium-1-yl)ethyl]-1-methyl-5-nitro-benzimidazole CAS Name: 1-methyl-5-nitro-2-[2-[4-(phenylmethyl)-1-piperazin-1-iumyl]ethyl]benzimidazole IUPAC Name: 2-[2-(4-benzylpiperazin-1-ium-1-yl)ethyl]-1-methyl-5-nitrobenzimidazole Traditional Name: 2-[2-(4-benzylpiperazin-1-ium-1-yl)ethyl]-1-methyl-5-nitro-benzimidazole Formula: C21H26N5O2+ MolecularWeight: 380.46344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CC[NH+]3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CC[NH+]3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H25N5O2/c1-23-20-8-7-18(26(27)28)15-19(20)22-21(23)9-10-24-11-13-25(14-12-24)16-17-5-3-2-4-6-17/h2-8,15H,9-14,16H2,1H3/p+1