ethyl 2-[6-(4-methylpiperazin-4-ium-1-yl)-1H-benzimidazol-2-yl]ethanoate

Systemtic Name: ethyl 2-[6-(4-methylpiperazin-4-ium-1-yl)-1H-benzimidazol-2-yl]ethanoate Openeye Name: ethyl 2-[6-(4-methylpiperazin-4-ium-1-yl)-1H-benzimidazol-2-yl]acetate CAS Name: 2-[6-(4-methyl-1-piperazin-4-iumyl)-1H-benzimidazol-2-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-(4-methylpiperazin-4-ium-1-yl)-1H-benzimidazol-2-yl]acetate Traditional Name: 2-[6-(4-methylpiperazin-4-ium-1-yl)-1H-benzimidazol-2-yl]acetic acid ethyl ester Formula: C16H23N4O2+ MolecularWeight: 303.37942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NC2=C(N1)C=C(C=C2)N3CC[NH+](CC3)C

Isomeric SMILES

CCOC(=O)CC1=NC2=C(N1)C=C(C=C2)N3CC[NH+](CC3)C

InChI

InChI=1S/C16H22N4O2/c1-3-22-16(21)11-15-17-13-5-4-12(10-14(13)18-15)20-8-6-19(2)7-9-20/h4-5,10H,3,6-9,11H2,1-2H3,(H,17,18)/p+1