(1S)-2-(2-azanyl-3-prop-2-enyl-benzimidazol-3-ium-1-yl)-1-(3-bromophenyl)ethanol

Systemtic Name: (1S)-2-(2-azanyl-3-prop-2-enyl-benzimidazol-3-ium-1-yl)-1-(3-bromophenyl)ethanol Openeye Name: (1S)-2-(3-allyl-2-amino-benzimidazol-3-ium-1-yl)-1-(3-bromophenyl)ethanol CAS Name: (1S)-2-(2-amino-3-prop-2-enyl-1-benzimidazol-3-iumyl)-1-(3-bromophenyl)ethanol IUPAC Name: (1S)-2-(2-amino-3-prop-2-enylbenzimidazol-3-ium-1-yl)-1-(3-bromophenyl)ethanol Traditional Name: (1S)-2-(3-allyl-2-amino-benzimidazol-3-ium-1-yl)-1-(3-bromophenyl)ethanol Formula: C18H19BrN3O+ MolecularWeight: 373.26696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1=C(N(C2=CC=CC=C21)CC(C3=CC(=CC=C3)Br)O)N

Isomeric SMILES

C=CC[N+]1=C(N(C2=CC=CC=C21)C[C@H](C3=CC(=CC=C3)Br)O)N

InChI

InChI=1S/C18H18BrN3O/c1-2-10-21-15-8-3-4-9-16(15)22(18(21)20)12-17(23)13-6-5-7-14(19)11-13/h2-9,11,17,20,23H,1,10,12H2/p+1/t17-/m1/s1