(2S)-2-(benzotriazol-1-yl)-4-morpholin-4-ium-4-ylidene-1,1-diphenyl-butan-1-ol

Systemtic Name: (2S)-2-(benzotriazol-1-yl)-4-morpholin-4-ium-4-ylidene-1,1-diphenyl-butan-1-ol Openeye Name: (2S)-2-(benzotriazol-1-yl)-4-morpholin-4-ium-4-ylidene-1,1-diphenyl-butan-1-ol CAS Name: (2S)-2-(1-benzotriazolyl)-4-(4-morpholin-4-iumylidene)-1,1-diphenyl-1-butanol IUPAC Name: (2S)-2-(benzotriazol-1-yl)-4-morpholin-4-ium-4-ylidene-1,1-diphenylbutan-1-ol Traditional Name: (2S)-2-(benzotriazol-1-yl)-4-morpholin-4-ium-4-ylidene-1,1-diphenyl-butan-1-ol Formula: C26H27N4O2+ MolecularWeight: 427.51818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[N+]1=CCC(C(C2=CC=CC=C2)(C3=CC=CC=C3)O)N4C5=CC=CC=C5N=N4

Isomeric SMILES

C1COCC[N+]1=CC[C@@H](C(C2=CC=CC=C2)(C3=CC=CC=C3)O)N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C26H27N4O2/c31-26(21-9-3-1-4-10-21,22-11-5-2-6-12-22)25(15-16-29-17-19-32-20-18-29)30-24-14-8-7-13-23(24)27-28-30/h1-14,16,25,31H,15,17-20H2/q+1/t25-/m0/s1