1-[2-(4-tert-butylphenoxy)ethyl]-3-propyl-benzimidazol-3-ium-2-amine

Systemtic Name: 1-[2-(4-tert-butylphenoxy)ethyl]-3-propyl-benzimidazol-3-ium-2-amine Openeye Name: 1-[2-(4-tert-butylphenoxy)ethyl]-3-propyl-benzimidazol-3-ium-2-amine CAS Name: 1-[2-(4-tert-butylphenoxy)ethyl]-3-propyl-2-benzimidazol-3-iumamine IUPAC Name: 1-[2-(4-tert-butylphenoxy)ethyl]-3-propylbenzimidazol-3-ium-2-amine Traditional Name: [1-[2-(4-tert-butylphenoxy)ethyl]-3-propyl-benzimidazol-3-ium-2-yl]amine Formula: C22H30N3O+ MolecularWeight: 352.4931

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O/c1-5-14-24-19-8-6-7-9-20(19)25(21(24)23)15-16-26-18-12-10-17(11-13-18)22(2,3)4/h6-13,23H,5,14-16H2,1-4H3/p+1