(1S)-1-[(2R)-2-(benzotriazol-2-yl)-1-butyl-aziridin-1-ium-2-yl]-2,2-dimethyl-propan-1-ol

Systemtic Name: (1S)-1-[(2R)-2-(benzotriazol-2-yl)-1-butyl-aziridin-1-ium-2-yl]-2,2-dimethyl-propan-1-ol Openeye Name: (1S)-1-[(2R)-2-(benzotriazol-2-yl)-1-butyl-aziridin-1-ium-2-yl]-2,2-dimethyl-propan-1-ol CAS Name: (1S)-1-[(2R)-2-(2-benzotriazolyl)-1-butyl-2-aziridin-1-iumyl]-2,2-dimethyl-1-propanol IUPAC Name: (1S)-1-[(2R)-2-(benzotriazol-2-yl)-1-butylaziridin-1-ium-2-yl]-2,2-dimethylpropan-1-ol Traditional Name: (1S)-1-[(2R)-2-(benzotriazol-2-yl)-1-butyl-ethylenimin-1-ium-2-yl]-2,2-dimethyl-propan-1-ol Formula: C17H27N4O+ MolecularWeight: 303.42248

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+]1CC1(C(C(C)(C)C)O)N2N=C3C=CC=CC3=N2

Isomeric SMILES

CCCC[NH+]1C[C@]1([C@H](C(C)(C)C)O)N2N=C3C=CC=CC3=N2

InChI

InChI=1S/C17H26N4O/c1-5-6-11-20-12-17(20,15(22)16(2,3)4)21-18-13-9-7-8-10-14(13)19-21/h7-10,15,22H,5-6,11-12H2,1-4H3/p+1/t15-,17+,20?/m0/s1