N-[2-[2-(4-ethylpiperazin-4-ium-1-yl)ethyl]-1-methyl-benzimidazol-5-yl]-4-nitro-benzamide

Systemtic Name: N-[2-[2-(4-ethylpiperazin-4-ium-1-yl)ethyl]-1-methyl-benzimidazol-5-yl]-4-nitro-benzamide Openeye Name: N-[2-[2-(4-ethylpiperazin-4-ium-1-yl)ethyl]-1-methyl-benzimidazol-5-yl]-4-nitro-benzamide CAS Name: N-[2-[2-(4-ethyl-1-piperazin-4-iumyl)ethyl]-1-methyl-5-benzimidazolyl]-4-nitrobenzamide IUPAC Name: N-[2-[2-(4-ethylpiperazin-4-ium-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-nitrobenzamide Traditional Name: N-[2-[2-(4-ethylpiperazin-4-ium-1-yl)ethyl]-1-methyl-benzimidazol-5-yl]-4-nitro-benzamide Formula: C23H29N6O3+ MolecularWeight: 437.51476

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CCC2=NC3=C(N2C)C=CC(=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)CCC2=NC3=C(N2C)C=CC(=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

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