(S)-[(2R)-2-(benzotriazol-2-yl)-1-butyl-aziridin-1-ium-2-yl]-phenyl-methanol

Systemtic Name: (S)-[(2R)-2-(benzotriazol-2-yl)-1-butyl-aziridin-1-ium-2-yl]-phenyl-methanol Openeye Name: (S)-[(2R)-2-(benzotriazol-2-yl)-1-butyl-aziridin-1-ium-2-yl]-phenyl-methanol CAS Name: (S)-[(2R)-2-(2-benzotriazolyl)-1-butyl-2-aziridin-1-iumyl]-phenylmethanol IUPAC Name: (S)-[(2R)-2-(benzotriazol-2-yl)-1-butylaziridin-1-ium-2-yl]-phenylmethanol Traditional Name: (S)-[(2R)-2-(benzotriazol-2-yl)-1-butyl-ethylenimin-1-ium-2-yl]-phenyl-methanol Formula: C19H23N4O+ MolecularWeight: 323.41212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+]1CC1(C(C2=CC=CC=C2)O)N3N=C4C=CC=CC4=N3

Isomeric SMILES

CCCC[NH+]1C[C@]1([C@H](C2=CC=CC=C2)O)N3N=C4C=CC=CC4=N3

InChI

InChI=1S/C19H22N4O/c1-2-3-13-22-14-19(22,18(24)15-9-5-4-6-10-15)23-20-16-11-7-8-12-17(16)21-23/h4-12,18,24H,2-3,13-14H2,1H3/p+1/t18-,19+,22?/m0/s1