1-[2-(4-tert-butylphenyl)ethyl]-1-(2-ethoxyethyl)-2-piperidin-4-yl-benzimidazol-1-ium

Systemtic Name: 1-[2-(4-tert-butylphenyl)ethyl]-1-(2-ethoxyethyl)-2-piperidin-4-yl-benzimidazol-1-ium Openeye Name: 1-[2-(4-tert-butylphenyl)ethyl]-1-(2-ethoxyethyl)-2-(4-piperidyl)benzimidazol-1-ium CAS Name: 1-[2-(4-tert-butylphenyl)ethyl]-1-(2-ethoxyethyl)-2-(4-piperidinyl)benzimidazol-1-ium IUPAC Name: 1-[2-(4-tert-butylphenyl)ethyl]-1-(2-ethoxyethyl)-2-piperidin-4-ylbenzimidazol-1-ium Traditional Name: 1-[2-(4-tert-butylphenyl)ethyl]-1-(2-ethoxyethyl)-2-(4-piperidyl)benzimidazol-1-ium Formula: C28H40N3O+ MolecularWeight: 434.6367

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC[N+]1(C2=CC=CC=C2N=C1C3CCNCC3)CCC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCOCC[N+]1(C2=CC=CC=C2N=C1C3CCNCC3)CCC4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C28H40N3O/c1-5-32-21-20-31(19-16-22-10-12-24(13-11-22)28(2,3)4)26-9-7-6-8-25(26)30-27(31)23-14-17-29-18-15-23/h6-13,23,29H,5,14-21H2,1-4H3/q+1