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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCN2C3=C(C=C(C(=C3)C)C)N=C2CCC[NH3+]

Isomeric SMILES

CC1=CC(=CC=C1)OCCN2C3=C(C=C(C(=C3)C)C)N=C2CCC[NH3+]

InChI

InChI=1S/C21H27N3O/c1-15-6-4-7-18(12-15)25-11-10-24-20-14-17(3)16(2)13-19(20)23-21(24)8-5-9-22/h4,6-7,12-14H,5,8-11,22H2,1-3H3/p+1