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

Systemtic Name: (2S)-1-(2-azanyl-3-prop-2-enyl-benzimidazol-3-ium-1-yl)-3-(2-methoxyphenoxy)propan-2-ol Openeye Name: (2S)-1-(3-allyl-2-amino-benzimidazol-3-ium-1-yl)-3-(2-methoxyphenoxy)propan-2-ol CAS Name: (2S)-1-(2-amino-3-prop-2-enyl-1-benzimidazol-3-iumyl)-3-(2-methoxyphenoxy)-2-propanol IUPAC Name: (2S)-1-(2-amino-3-prop-2-enylbenzimidazol-3-ium-1-yl)-3-(2-methoxyphenoxy)propan-2-ol Traditional Name: (2S)-1-(3-allyl-2-amino-benzimidazol-3-ium-1-yl)-3-(2-methoxyphenoxy)propan-2-ol Formula: C20H24N3O3+ MolecularWeight: 354.42286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OCC(CN2C3=CC=CC=C3[N+](=C2N)CC=C)O

Isomeric SMILES

COC1=CC=CC=C1OC[C@H](CN2C3=CC=CC=C3[N+](=C2N)CC=C)O

InChI

InChI=1S/C20H23N3O3/c1-3-12-22-16-8-4-5-9-17(16)23(20(22)21)13-15(24)14-26-19-11-7-6-10-18(19)25-2/h3-11,15,21,24H,1,12-14H2,2H3/p+1/t15-/m0/s1