(1S)-2-(2-azanyl-3-prop-2-enyl-benzimidazol-3-ium-1-yl)-1-(4-bromophenyl)ethanol

Systemtic Name: (1S)-2-(2-azanyl-3-prop-2-enyl-benzimidazol-3-ium-1-yl)-1-(4-bromophenyl)ethanol Openeye Name: (1S)-2-(3-allyl-2-amino-benzimidazol-3-ium-1-yl)-1-(4-bromophenyl)ethanol CAS Name: (1S)-2-(2-amino-3-prop-2-enyl-1-benzimidazol-3-iumyl)-1-(4-bromophenyl)ethanol IUPAC Name: (1S)-2-(2-amino-3-prop-2-enylbenzimidazol-3-ium-1-yl)-1-(4-bromophenyl)ethanol Traditional Name: (1S)-2-(3-allyl-2-amino-benzimidazol-3-ium-1-yl)-1-(4-bromophenyl)ethanol Formula: C18H19BrN3O+ MolecularWeight: 373.26696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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