1-(2-phenoxyethyl)-3-propyl-benzimidazol-3-ium-2-amine

Systemtic Name: 1-(2-phenoxyethyl)-3-propyl-benzimidazol-3-ium-2-amine Openeye Name: 1-(2-phenoxyethyl)-3-propyl-benzimidazol-3-ium-2-amine CAS Name: 1-(2-phenoxyethyl)-3-propyl-2-benzimidazol-3-iumamine IUPAC Name: 1-(2-phenoxyethyl)-3-propylbenzimidazol-3-ium-2-amine Traditional Name: [1-(2-phenoxyethyl)-3-propyl-benzimidazol-3-ium-2-yl]amine Formula: C18H22N3O+ MolecularWeight: 296.38678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=C(N(C2=CC=CC=C21)CCOC3=CC=CC=C3)N

Isomeric SMILES

CCC[N+]1=C(N(C2=CC=CC=C21)CCOC3=CC=CC=C3)N

InChI

InChI=1S/C18H21N3O/c1-2-12-20-16-10-6-7-11-17(16)21(18(20)19)13-14-22-15-8-4-3-5-9-15/h3-11,19H,2,12-14H2,1H3/p+1