[(2S)-4-(1H-benzimidazol-2-yl)-1-methoxy-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-4-(1H-benzimidazol-2-yl)-1-methoxy-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-3-(1H-benzimidazol-2-yl)-1-methoxycarbonyl-propyl]ammonium CAS Name: [(2S)-4-(1H-benzimidazol-2-yl)-1-methoxy-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-4-(1H-benzimidazol-2-yl)-1-methoxy-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-3-(1H-benzimidazol-2-yl)-1-carbomethoxy-propyl]ammonium Formula: C12H16N3O2+ MolecularWeight: 234.27434

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC1=NC2=CC=CC=C2N1)[NH3+]

Isomeric SMILES

COC(=O)[C@H](CCC1=NC2=CC=CC=C2N1)[NH3+]

InChI

InChI=1S/C12H15N3O2/c1-17-12(16)8(13)6-7-11-14-9-4-2-3-5-10(9)15-11/h2-5,8H,6-7,13H2,1H3,(H,14,15)/p+1/t8-/m0/s1