2-azaniumylethyl-[(4-tert-butylphenyl)methyl]-(phenylmethyl)azanium

Systemtic Name: 2-azaniumylethyl-[(4-tert-butylphenyl)methyl]-(phenylmethyl)azanium Openeye Name: 2-azaniumylethyl-benzyl-[(4-tert-butylphenyl)methyl]ammonium CAS Name: 2-ammonioethyl-[(4-tert-butylphenyl)methyl]-(phenylmethyl)ammonium IUPAC Name: 2-azaniumylethyl-benzyl-[(4-tert-butylphenyl)methyl]azanium Traditional Name: 2-ammonioethyl-benzyl-(4-tert-butylbenzyl)ammonium Formula: C20H30N2+2 MolecularWeight: 298.4656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C[NH+](CC[NH3+])CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C[NH+](CC[NH3+])CC2=CC=CC=C2

InChI

InChI=1S/C20H28N2/c1-20(2,3)19-11-9-18(10-12-19)16-22(14-13-21)15-17-7-5-4-6-8-17/h4-12H,13-16,21H2,1-3H3/p+2