(2S)-3-[2-(10-azanyldecyl)-3H-benzimidazol-1-ium-1-yl]propane-1,2-diol

Systemtic Name: (2S)-3-[2-(10-azanyldecyl)-3H-benzimidazol-1-ium-1-yl]propane-1,2-diol Openeye Name: (2S)-3-[2-(10-aminodecyl)-3H-benzimidazol-1-ium-1-yl]propane-1,2-diol CAS Name: (2S)-3-[2-(10-aminodecyl)-3H-benzimidazol-1-ium-1-yl]propane-1,2-diol IUPAC Name: (2S)-3-[2-(10-aminodecyl)-3H-benzimidazol-1-ium-1-yl]propane-1,2-diol Traditional Name: (2S)-3-[2-(10-aminodecyl)-3H-benzimidazol-1-ium-1-yl]propane-1,2-diol Formula: C20H34N3O2+ MolecularWeight: 348.50286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[N+]2CC(CO)O)CCCCCCCCCCN

Isomeric SMILES

C1=CC=C2C(=C1)NC(=[N+]2C[C@@H](CO)O)CCCCCCCCCCN

InChI

InChI=1S/C20H33N3O2/c21-14-10-6-4-2-1-3-5-7-13-20-22-18-11-8-9-12-19(18)23(20)15-17(25)16-24/h8-9,11-12,17,24-25H,1-7,10,13-16,21H2/p+1/t17-/m0/s1