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

Systemtic Name: (2S)-1-[(3-butyl-1H-benzimidazol-3-ium-2-yl)amino]propan-2-ol Openeye Name: (2S)-1-[(3-butyl-1H-benzimidazol-3-ium-2-yl)amino]propan-2-ol CAS Name: (2S)-1-[(3-butyl-1H-benzimidazol-3-ium-2-yl)amino]-2-propanol IUPAC Name: (2S)-1-[(3-butyl-1H-benzimidazol-3-ium-2-yl)amino]propan-2-ol Traditional Name: (2S)-1-[(3-butyl-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:

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

Isomeric SMILES

CCCC[N+]1=C(NC2=CC=CC=C21)NC[C@H](C)O

InChI

InChI=1S/C14H21N3O/c1-3-4-9-17-13-8-6-5-7-12(13)16-14(17)15-10-11(2)18/h5-8,11,18H,3-4,9-10H2,1-2H3,(H,15,16)/p+1/t11-/m0/s1