3-[5,6-dimethyl-1-(3-phenoxypropyl)benzimidazol-2-yl]propylazanium

Systemtic Name: 3-[5,6-dimethyl-1-(3-phenoxypropyl)benzimidazol-2-yl]propylazanium Openeye Name: 3-[5,6-dimethyl-1-(3-phenoxypropyl)benzimidazol-2-yl]propylammonium CAS Name: 3-[5,6-dimethyl-1-(3-phenoxypropyl)-2-benzimidazolyl]propylammonium IUPAC Name: 3-[5,6-dimethyl-1-(3-phenoxypropyl)benzimidazol-2-yl]propylazanium Traditional Name: 3-[5,6-dimethyl-1-(3-phenoxypropyl)benzimidazol-2-yl]propylammonium Formula: C21H28N3O+ MolecularWeight: 338.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C(=N2)CCC[NH3+])CCCOC3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C(=N2)CCC[NH3+])CCCOC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O/c1-16-14-19-20(15-17(16)2)24(21(23-19)10-6-11-22)12-7-13-25-18-8-4-3-5-9-18/h3-5,8-9,14-15H,6-7,10-13,22H2,1-2H3/p+1