(2-bromanyl-4-butoxy-5-ethoxy-phenyl)methyl-(phenylmethyl)azanium

Systemtic Name: (2-bromanyl-4-butoxy-5-ethoxy-phenyl)methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(2-bromo-4-butoxy-5-ethoxy-phenyl)methyl]ammonium CAS Name: (2-bromo-4-butoxy-5-ethoxyphenyl)methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2-bromo-4-butoxy-5-ethoxyphenyl)methyl]azanium Traditional Name: benzyl-(2-bromo-4-butoxy-5-ethoxy-benzyl)ammonium Formula: C20H27BrNO2+ MolecularWeight: 393.33788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C(=C1)Br)C[NH2+]CC2=CC=CC=C2)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C(=C1)Br)C[NH2+]CC2=CC=CC=C2)OCC

InChI

InChI=1S/C20H26BrNO2/c1-3-5-11-24-20-13-18(21)17(12-19(20)23-4-2)15-22-14-16-9-7-6-8-10-16/h6-10,12-13,22H,3-5,11,14-15H2,1-2H3/p+1