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

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-3-(2-phenoxyethyl)benzimidazol-1-ium-2-amine Openeye Name: 1-[(4-tert-butylphenyl)methyl]-3-(2-phenoxyethyl)benzimidazol-1-ium-2-amine CAS Name: 1-[(4-tert-butylphenyl)methyl]-3-(2-phenoxyethyl)-2-benzimidazol-1-iumamine IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-3-(2-phenoxyethyl)benzimidazol-1-ium-2-amine Traditional Name: [1-(4-tert-butylbenzyl)-3-(2-phenoxyethyl)benzimidazol-1-ium-2-yl]amine Formula: C26H30N3O+ MolecularWeight: 400.5359

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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=C4)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CCOC4=CC=CC=C4)N

InChI

InChI=1S/C26H29N3O/c1-26(2,3)21-15-13-20(14-16-21)19-29-24-12-8-7-11-23(24)28(25(29)27)17-18-30-22-9-5-4-6-10-22/h4-16,27H,17-19H2,1-3H3/p+1