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

Systemtic Name: (2S)-1-(2-azanyl-3-prop-2-enyl-benzimidazol-3-ium-1-yl)-3-(4-methylphenoxy)propan-2-ol Openeye Name: (2S)-1-(3-allyl-2-amino-benzimidazol-3-ium-1-yl)-3-(4-methylphenoxy)propan-2-ol CAS Name: (2S)-1-(2-amino-3-prop-2-enyl-1-benzimidazol-3-iumyl)-3-(4-methylphenoxy)-2-propanol IUPAC Name: (2S)-1-(2-amino-3-prop-2-enylbenzimidazol-3-ium-1-yl)-3-(4-methylphenoxy)propan-2-ol Traditional Name: (2S)-1-(3-allyl-2-amino-benzimidazol-3-ium-1-yl)-3-(4-methylphenoxy)propan-2-ol Formula: C20H24N3O2+ MolecularWeight: 338.42346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O2/c1-3-12-22-18-6-4-5-7-19(18)23(20(22)21)13-16(24)14-25-17-10-8-15(2)9-11-17/h3-11,16,21,24H,1,12-14H2,2H3/p+1/t16-/m0/s1