ethyl (3aR)-4-butyl-2-methyl-3,3a-dihydro-2H-imidazo[1,2-a]benzimidazol-9-ium-1-carboxylate

Systemtic Name: ethyl (3aR)-4-butyl-2-methyl-3,3a-dihydro-2H-imidazo[1,2-a]benzimidazol-9-ium-1-carboxylate Openeye Name: ethyl (3aR)-4-butyl-2-methyl-3,3a-dihydro-2H-imidazo[1,2-a]benzimidazol-9-ium-1-carboxylate CAS Name: (3aR)-4-butyl-2-methyl-3,3a-dihydro-2H-imidazo[1,2-a]benzimidazol-9-ium-1-carboxylic acid ethyl ester IUPAC Name: ethyl (3aR)-4-butyl-2-methyl-3,3a-dihydro-2H-imidazo[1,2-a]benzimidazol-9-ium-1-carboxylate Traditional Name: (3aR)-4-butyl-2-methyl-3,3a-dihydro-2H-imidazo[1,2-a]benzimidazol-9-ium-1-carboxylic acid ethyl ester Formula: C17H24N3O2+ MolecularWeight: 302.39136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2NC(C(=[N+]2C3=CC=CC=C31)C(=O)OCC)C

Isomeric SMILES

CCCCN1[C@H]2NC(C(=[N+]2C3=CC=CC=C31)C(=O)OCC)C

InChI

InChI=1S/C17H24N3O2/c1-4-6-11-19-13-9-7-8-10-14(13)20-15(16(21)22-5-2)12(3)18-17(19)20/h7-10,12,17-18H,4-6,11H2,1-3H3/q+1/t12?,17-/m1/s1