[(2S)-2-ethylhexyl]-[(1R)-1-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)ethyl]azanium

Systemtic Name: [(2S)-2-ethylhexyl]-[(1R)-1-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)ethyl]azanium Openeye Name: [(2S)-2-ethylhexyl]-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]ammonium CAS Name: [(2S)-2-ethylhexyl]-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]ammonium IUPAC Name: [(2S)-2-ethylhexyl]-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]azanium Traditional Name: [(2S)-2-ethylhexyl]-[(1R)-1-(2-keto-1,3-dihydrobenzimidazol-5-yl)ethyl]ammonium Formula: C17H28N3O+ MolecularWeight: 290.42372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C[NH2+]C(C)C1=CC2=C(C=C1)NC(=O)N2

Isomeric SMILES

CCCC[C@H](CC)C[NH2+][C@H](C)C1=CC2=C(C=C1)NC(=O)N2

InChI

InChI=1S/C17H27N3O/c1-4-6-7-13(5-2)11-18-12(3)14-8-9-15-16(10-14)20-17(21)19-15/h8-10,12-13,18H,4-7,11H2,1-3H3,(H2,19,20,21)/p+1/t12-,13+/m1/s1