1,3-bis[(4-tert-butylphenyl)methyl]-1-(phenylmethyl)piperidin-1-ium bromide

Systemtic Name: 1,3-bis[(4-tert-butylphenyl)methyl]-1-(phenylmethyl)piperidin-1-ium bromide Openeye Name: 1-benzyl-1,3-bis[(4-tert-butylphenyl)methyl]piperidin-1-ium bromide CAS Name: 1,3-bis[(4-tert-butylphenyl)methyl]-1-(phenylmethyl)piperidin-1-ium bromide IUPAC Name: 1-benzyl-1,3-bis[(4-tert-butylphenyl)methyl]piperidin-1-ium bromide Traditional Name: 1-benzyl-1,3-bis(4-tert-butylbenzyl)piperidin-1-ium bromide Formula: C34H46BrN MolecularWeight: 548.63974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CC2CCC[N+](C2)(CC3=CC=CC=C3)CC4=CC=C(C=C4)C(C)(C)C.[Br-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CC2CCC[N+](C2)(CC3=CC=CC=C3)CC4=CC=C(C=C4)C(C)(C)C.[Br-]

InChI

InChI=1S/C34H46N.BrH/c1-33(2,3)31-18-14-27(15-19-31)23-30-13-10-22-35(26-30,24-28-11-8-7-9-12-28)25-29-16-20-32(21-17-29)34(4,5)6;/h7-9,11-12,14-21,30H,10,13,22-26H2,1-6H3;1H/q+1;/p-1