ethyl 2-ethyl-4-(2-piperidin-1-ium-1-ylethyl)imidazo[1,2-a]benzimidazole-1-carboxylate

Systemtic Name: ethyl 2-ethyl-4-(2-piperidin-1-ium-1-ylethyl)imidazo[1,2-a]benzimidazole-1-carboxylate Openeye Name: ethyl 2-ethyl-4-(2-piperidin-1-ium-1-ylethyl)imidazo[1,2-a]benzimidazole-1-carboxylate CAS Name: 2-ethyl-4-[2-(1-piperidin-1-iumyl)ethyl]-1-imidazo[1,2-a]benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-ethyl-4-(2-piperidin-1-ium-1-ylethyl)imidazo[1,2-a]benzimidazole-1-carboxylate Traditional Name: 2-ethyl-4-(2-piperidin-1-ium-1-ylethyl)imidazo[1,2-a]benzimidazole-1-carboxylic acid ethyl ester Formula: C21H29N4O2+ MolecularWeight: 369.48056

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N2C3=CC=CC=C3N(C2=N1)CC[NH+]4CCCCC4)C(=O)OCC

Isomeric SMILES

CCC1=C(N2C3=CC=CC=C3N(C2=N1)CC[NH+]4CCCCC4)C(=O)OCC

InChI

InChI=1S/C21H28N4O2/c1-3-16-19(20(26)27-4-2)25-18-11-7-6-10-17(18)24(21(25)22-16)15-14-23-12-8-5-9-13-23/h6-7,10-11H,3-5,8-9,12-15H2,1-2H3/p+1