5-[5,6-dimethyl-1-(3-oxidanylpropyl)benzimidazol-2-yl]pentylazanium

Systemtic Name: 5-[5,6-dimethyl-1-(3-oxidanylpropyl)benzimidazol-2-yl]pentylazanium Openeye Name: 5-[1-(3-hydroxypropyl)-5,6-dimethyl-benzimidazol-2-yl]pentylammonium CAS Name: 5-[1-(3-hydroxypropyl)-5,6-dimethyl-2-benzimidazolyl]pentylammonium IUPAC Name: 5-[1-(3-hydroxypropyl)-5,6-dimethylbenzimidazol-2-yl]pentylazanium Traditional Name: 5-[1-(3-hydroxypropyl)-5,6-dimethyl-benzimidazol-2-yl]pentylammonium Formula: C17H28N3O+ MolecularWeight: 290.42372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C(=N2)CCCCC[NH3+])CCCO

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C(=N2)CCCCC[NH3+])CCCO

InChI

InChI=1S/C17H27N3O/c1-13-11-15-16(12-14(13)2)20(9-6-10-21)17(19-15)7-4-3-5-8-18/h11-12,21H,3-10,18H2,1-2H3/p+1