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

Systemtic Name: methyl 2-ethyl-4-(2-piperidin-1-ium-1-ylethyl)imidazo[1,2-a]benzimidazole-1-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H27N4O2+ MolecularWeight: 355.45398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O2/c1-3-15-18(19(25)26-2)24-17-10-6-5-9-16(17)23(20(24)21-15)14-13-22-11-7-4-8-12-22/h5-6,9-10H,3-4,7-8,11-14H2,1-2H3/p+1