(2R)-1-(2-azanyl-3-prop-2-enyl-benzimidazol-3-ium-1-yl)-3-(4-chloranylphenoxy)propan-2-ol

Systemtic Name: (2R)-1-(2-azanyl-3-prop-2-enyl-benzimidazol-3-ium-1-yl)-3-(4-chloranylphenoxy)propan-2-ol Openeye Name: (2R)-1-(3-allyl-2-amino-benzimidazol-3-ium-1-yl)-3-(4-chlorophenoxy)propan-2-ol CAS Name: (2R)-1-(2-amino-3-prop-2-enyl-1-benzimidazol-3-iumyl)-3-(4-chlorophenoxy)-2-propanol IUPAC Name: (2R)-1-(2-amino-3-prop-2-enylbenzimidazol-3-ium-1-yl)-3-(4-chlorophenoxy)propan-2-ol Traditional Name: (2R)-1-(3-allyl-2-amino-benzimidazol-3-ium-1-yl)-3-(4-chlorophenoxy)propan-2-ol Formula: C19H21ClN3O2+ MolecularWeight: 358.84194

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1=C(N(C2=CC=CC=C21)CC(COC3=CC=C(C=C3)Cl)O)N

Isomeric SMILES

C=CC[N+]1=C(N(C2=CC=CC=C21)C[C@H](COC3=CC=C(C=C3)Cl)O)N

InChI

InChI=1S/C19H20ClN3O2/c1-2-11-22-17-5-3-4-6-18(17)23(19(22)21)12-15(24)13-25-16-9-7-14(20)8-10-16/h2-10,15,21,24H,1,11-13H2/p+1/t15-/m1/s1