1-butyl-3-[2-(3-methylphenoxy)ethyl]benzimidazol-1-ium-2-amine

Systemtic Name: 1-butyl-3-[2-(3-methylphenoxy)ethyl]benzimidazol-1-ium-2-amine Openeye Name: 1-butyl-3-[2-(3-methylphenoxy)ethyl]benzimidazol-1-ium-2-amine CAS Name: 1-butyl-3-[2-(3-methylphenoxy)ethyl]-2-benzimidazol-1-iumamine IUPAC Name: 1-butyl-3-[2-(3-methylphenoxy)ethyl]benzimidazol-1-ium-2-amine Traditional Name: [1-butyl-3-[2-(3-methylphenoxy)ethyl]benzimidazol-1-ium-2-yl]amine Formula: C20H26N3O+ MolecularWeight: 324.43994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O/c1-3-4-12-22-18-10-5-6-11-19(18)23(20(22)21)13-14-24-17-9-7-8-16(2)15-17/h5-11,15,21H,3-4,12-14H2,1-2H3/p+1