2-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-ium-1-yl]-N-(4-methoxy-2-nitro-phenyl)ethanamide

Systemtic Name: 2-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-ium-1-yl]-N-(4-methoxy-2-nitro-phenyl)ethanamide Openeye Name: 2-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-ium-1-yl]-N-(4-methoxy-2-nitro-phenyl)acetamide CAS Name: 2-[4-(1-ethyl-2-benzimidazolyl)-1-piperazin-1-iumyl]-N-(4-methoxy-2-nitrophenyl)acetamide IUPAC Name: 2-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-ium-1-yl]-N-(4-methoxy-2-nitrophenyl)acetamide Traditional Name: 2-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-ium-1-yl]-N-(4-methoxy-2-nitro-phenyl)acetamide Formula: C22H27N6O4+ MolecularWeight: 439.48758

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1N3CC[NH+](CC3)CC(=O)NC4=C(C=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1N3CC[NH+](CC3)CC(=O)NC4=C(C=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H26N6O4/c1-3-27-19-7-5-4-6-17(19)24-22(27)26-12-10-25(11-13-26)15-21(29)23-18-9-8-16(32-2)14-20(18)28(30)31/h4-9,14H,3,10-13,15H2,1-2H3,(H,23,29)/p+1