1-(2-tert-butylphenyl)-1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium; phenylmethanolate

Systemtic Name: 1-(2-tert-butylphenyl)-1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium; phenylmethanolate Openeye Name: 1-(2-tert-butylphenyl)-1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium; phenylmethanolate CAS Name: 1-(2-tert-butylphenyl)-1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium; phenylmethanolate IUPAC Name: 1-(2-tert-butylphenyl)-1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium; phenylmethanolate Traditional Name: 1-(2-tert-butylphenyl)-1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium; phenylmethanolate Formula: C31H41NO2 MolecularWeight: 459.66274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1[N+]2(CCCCC2)CCC3=CC=C(C=C3)OC.C1=CC=C(C=C1)C[O-]

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1[N+]2(CCCCC2)CCC3=CC=C(C=C3)OC.C1=CC=C(C=C1)C[O-]

InChI

InChI=1S/C24H34NO.C7H7O/c1-24(2,3)22-10-6-7-11-23(22)25(17-8-5-9-18-25)19-16-20-12-14-21(26-4)15-13-20;8-6-7-4-2-1-3-5-7/h6-7,10-15H,5,8-9,16-19H2,1-4H3;1-5H,6H2/q+1;-1