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

Systemtic Name: ethyl (3aS)-4-(2-diethylaminoethyl)-2-methyl-3,3a-dihydro-2H-imidazo[1,2-a]benzimidazol-9-ium-1-carboxylate Openeye Name: ethyl (3aS)-4-(2-diethylaminoethyl)-2-methyl-3,3a-dihydro-2H-imidazo[1,2-a]benzimidazol-9-ium-1-carboxylate CAS Name: (3aS)-4-(2-diethylaminoethyl)-2-methyl-3,3a-dihydro-2H-imidazo[1,2-a]benzimidazol-9-ium-1-carboxylic acid ethyl ester IUPAC Name: ethyl (3aS)-4-(2-diethylaminoethyl)-2-methyl-3,3a-dihydro-2H-imidazo[1,2-a]benzimidazol-9-ium-1-carboxylate Traditional Name: (3aS)-4-(2-diethylaminoethyl)-2-methyl-3,3a-dihydro-2H-imidazo[1,2-a]benzimidazol-9-ium-1-carboxylic acid ethyl ester Formula: C19H29N4O2+ MolecularWeight: 345.45916

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C2NC(C(=[N+]2C3=CC=CC=C31)C(=O)OCC)C

Isomeric SMILES

CCN(CC)CCN1[C@@H]2NC(C(=[N+]2C3=CC=CC=C31)C(=O)OCC)C

InChI

InChI=1S/C19H29N4O2/c1-5-21(6-2)12-13-22-15-10-8-9-11-16(15)23-17(18(24)25-7-3)14(4)20-19(22)23/h8-11,14,19-20H,5-7,12-13H2,1-4H3/q+1/t14?,19-/m0/s1