2-[2-(10-azanyldecyl)-5,6-dimethyl-3H-benzimidazol-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[2-(10-azanyldecyl)-5,6-dimethyl-3H-benzimidazol-1-ium-1-yl]ethanoic acid Openeye Name: 2-[2-(10-aminodecyl)-5,6-dimethyl-3H-benzimidazol-1-ium-1-yl]acetic acid CAS Name: 2-[2-(10-aminodecyl)-5,6-dimethyl-3H-benzimidazol-1-ium-1-yl]acetic acid IUPAC Name: 2-[2-(10-aminodecyl)-5,6-dimethyl-3H-benzimidazol-1-ium-1-yl]acetic acid Traditional Name: 2-[2-(10-aminodecyl)-5,6-dimethyl-3H-benzimidazol-1-ium-1-yl]acetic acid Formula: C21H34N3O2+ MolecularWeight: 360.51356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)[N+](=C(N2)CCCCCCCCCCN)CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1C)[N+](=C(N2)CCCCCCCCCCN)CC(=O)O

InChI

InChI=1S/C21H33N3O2/c1-16-13-18-19(14-17(16)2)24(15-21(25)26)20(23-18)11-9-7-5-3-4-6-8-10-12-22/h13-14H,3-12,15,22H2,1-2H3,(H,25,26)/p+1