(2S)-1-(2-azanyl-3-prop-2-enyl-benzimidazol-3-ium-1-yl)-3-(4-chloranyl-3-methyl-phenoxy)propan-2-ol

Systemtic Name: (2S)-1-(2-azanyl-3-prop-2-enyl-benzimidazol-3-ium-1-yl)-3-(4-chloranyl-3-methyl-phenoxy)propan-2-ol Openeye Name: (2S)-1-(3-allyl-2-amino-benzimidazol-3-ium-1-yl)-3-(4-chloro-3-methyl-phenoxy)propan-2-ol CAS Name: (2S)-1-(2-amino-3-prop-2-enyl-1-benzimidazol-3-iumyl)-3-(4-chloro-3-methylphenoxy)-2-propanol IUPAC Name: (2S)-1-(2-amino-3-prop-2-enylbenzimidazol-3-ium-1-yl)-3-(4-chloro-3-methylphenoxy)propan-2-ol Traditional Name: (2S)-1-(3-allyl-2-amino-benzimidazol-3-ium-1-yl)-3-(4-chloro-3-methyl-phenoxy)propan-2-ol Formula: C20H23ClN3O2+ MolecularWeight: 372.86852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(CN2C3=CC=CC=C3[N+](=C2N)CC=C)O)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC[C@H](CN2C3=CC=CC=C3[N+](=C2N)CC=C)O)Cl

InChI

InChI=1S/C20H22ClN3O2/c1-3-10-23-18-6-4-5-7-19(18)24(20(23)22)12-15(25)13-26-16-8-9-17(21)14(2)11-16/h3-9,11,15,22,25H,1,10,12-13H2,2H3/p+1/t15-/m0/s1