N-(2-methyl-5-nitro-phenyl)-2-[4-(1-propylbenzimidazol-2-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-2-[4-(1-propylbenzimidazol-2-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-methyl-5-nitro-phenyl)-2-[4-(1-propylbenzimidazol-2-yl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-methyl-5-nitrophenyl)-2-[4-(1-propyl-2-benzimidazolyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methyl-5-nitrophenyl)-2-[4-(1-propylbenzimidazol-2-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-methyl-5-nitro-phenyl)-2-[4-(1-propylbenzimidazol-2-yl)piperazin-1-ium-1-yl]acetamide Formula: C23H29N6O3+ MolecularWeight: 437.51476

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N=C1N3CC[NH+](CC3)CC(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])C

Isomeric SMILES

CCCN1C2=CC=CC=C2N=C1N3CC[NH+](CC3)CC(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])C

InChI

InChI=1S/C23H28N6O3/c1-3-10-28-21-7-5-4-6-19(21)25-23(28)27-13-11-26(12-14-27)16-22(30)24-20-15-18(29(31)32)9-8-17(20)2/h4-9,15H,3,10-14,16H2,1-2H3,(H,24,30)/p+1