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

Systemtic Name: 1-[2-(4-tert-butylphenoxy)ethyl]-3-(2-diethylaminoethyl)benzimidazol-3-ium-2-amine Openeye Name: 1-[2-(4-tert-butylphenoxy)ethyl]-3-(2-diethylaminoethyl)benzimidazol-3-ium-2-amine CAS Name: 1-[2-(4-tert-butylphenoxy)ethyl]-3-(2-diethylaminoethyl)-2-benzimidazol-3-iumamine IUPAC Name: 1-[2-(4-tert-butylphenoxy)ethyl]-3-(2-diethylaminoethyl)benzimidazol-3-ium-2-amine Traditional Name: 2-[2-amino-3-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-1-ium-1-yl]ethyl-diethyl-amine Formula: C25H37N4O+ MolecularWeight: 409.58748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N4O/c1-6-27(7-2)16-17-28-22-10-8-9-11-23(22)29(24(28)26)18-19-30-21-14-12-20(13-15-21)25(3,4)5/h8-15,26H,6-7,16-19H2,1-5H3/p+1