(2S)-1-[[3-(2-methylpropyl)-1H-benzimidazol-3-ium-2-yl]amino]propan-2-ol

Systemtic Name: (2S)-1-[[3-(2-methylpropyl)-1H-benzimidazol-3-ium-2-yl]amino]propan-2-ol Openeye Name: (2S)-1-[(3-isobutyl-1H-benzimidazol-3-ium-2-yl)amino]propan-2-ol CAS Name: (2S)-1-[[3-(2-methylpropyl)-1H-benzimidazol-3-ium-2-yl]amino]-2-propanol IUPAC Name: (2S)-1-[[3-(2-methylpropyl)-1H-benzimidazol-3-ium-2-yl]amino]propan-2-ol Traditional Name: (2S)-1-[(3-isobutyl-1H-benzimidazol-3-ium-2-yl)amino]propan-2-ol Formula: C14H22N3O+ MolecularWeight: 248.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[N+]1=C(NC2=CC=CC=C21)NCC(C)O

Isomeric SMILES

C[C@@H](CNC1=[N+](C2=CC=CC=C2N1)CC(C)C)O

InChI

InChI=1S/C14H21N3O/c1-10(2)9-17-13-7-5-4-6-12(13)16-14(17)15-8-11(3)18/h4-7,10-11,18H,8-9H2,1-3H3,(H,15,16)/p+1/t11-/m0/s1