1-[(4-tert-butylphenyl)methyl]-3-[2-(2-methoxyphenoxy)ethyl]benzimidazol-1-ium-2-amine

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-3-[2-(2-methoxyphenoxy)ethyl]benzimidazol-1-ium-2-amine Openeye Name: 1-[(4-tert-butylphenyl)methyl]-3-[2-(2-methoxyphenoxy)ethyl]benzimidazol-1-ium-2-amine CAS Name: 1-[(4-tert-butylphenyl)methyl]-3-[2-(2-methoxyphenoxy)ethyl]-2-benzimidazol-1-iumamine IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-3-[2-(2-methoxyphenoxy)ethyl]benzimidazol-1-ium-2-amine Traditional Name: [1-(4-tert-butylbenzyl)-3-[2-(2-methoxyphenoxy)ethyl]benzimidazol-1-ium-2-yl]amine Formula: C27H32N3O2+ MolecularWeight: 430.56188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CCOC4=CC=CC=C4OC)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CCOC4=CC=CC=C4OC)N

InChI

InChI=1S/C27H31N3O2/c1-27(2,3)21-15-13-20(14-16-21)19-30-23-10-6-5-9-22(23)29(26(30)28)17-18-32-25-12-8-7-11-24(25)31-4/h5-16,28H,17-19H2,1-4H3/p+1