(2S)-1-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]-3-(4-phenoxyphenoxy)propan-2-ol

Systemtic Name: (2S)-1-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]-3-(4-phenoxyphenoxy)propan-2-ol Openeye Name: (2S)-1-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]-3-(4-phenoxyphenoxy)propan-2-ol CAS Name: (2S)-1-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]-3-(4-phenoxyphenoxy)-2-propanol IUPAC Name: (2S)-1-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]-3-(4-phenoxyphenoxy)propan-2-ol Traditional Name: (2S)-1-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]-3-(4-phenoxyphenoxy)propan-2-ol Formula: C24H26N3O4+ MolecularWeight: 420.48094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)OCC(C[N+]3=C(NC4=CC=CC=C43)NCCO)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)OC[C@H](C[N+]3=C(NC4=CC=CC=C43)NCCO)O

InChI

InChI=1S/C24H25N3O4/c28-15-14-25-24-26-22-8-4-5-9-23(22)27(24)16-18(29)17-30-19-10-12-21(13-11-19)31-20-6-2-1-3-7-20/h1-13,18,28-29H,14-17H2,(H,25,26)/p+1/t18-/m0/s1