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

Systemtic Name: (1S)-1-[(2R)-2-(benzotriazol-2-yl)-1-butyl-aziridin-1-ium-2-yl]-2-methyl-propan-1-ol Openeye Name: (1S)-1-[(2R)-2-(benzotriazol-2-yl)-1-butyl-aziridin-1-ium-2-yl]-2-methyl-propan-1-ol CAS Name: (1S)-1-[(2R)-2-(2-benzotriazolyl)-1-butyl-2-aziridin-1-iumyl]-2-methyl-1-propanol IUPAC Name: (1S)-1-[(2R)-2-(benzotriazol-2-yl)-1-butylaziridin-1-ium-2-yl]-2-methylpropan-1-ol Traditional Name: (1S)-1-[(2R)-2-(benzotriazol-2-yl)-1-butyl-ethylenimin-1-ium-2-yl]-2-methyl-propan-1-ol Formula: C16H25N4O+ MolecularWeight: 289.3959

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N4O/c1-4-5-10-19-11-16(19,15(21)12(2)3)20-17-13-8-6-7-9-14(13)18-20/h6-9,12,15,21H,4-5,10-11H2,1-3H3/p+1/t15-,16+,19?/m0/s1