(3-bromanyl-4-butoxy-5-methoxy-phenyl)methyl-phenethyl-azanium

Systemtic Name: (3-bromanyl-4-butoxy-5-methoxy-phenyl)methyl-phenethyl-azanium Openeye Name: (3-bromo-4-butoxy-5-methoxy-phenyl)methyl-phenethyl-ammonium CAS Name: (3-bromo-4-butoxy-5-methoxyphenyl)methyl-phenethylammonium IUPAC Name: (3-bromo-4-butoxy-5-methoxyphenyl)methyl-phenethylazanium Traditional Name: (3-bromo-4-butoxy-5-methoxy-benzyl)-phenethyl-ammonium Formula: C20H27BrNO2+ MolecularWeight: 393.33788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1Br)C[NH2+]CCC2=CC=CC=C2)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1Br)C[NH2+]CCC2=CC=CC=C2)OC

InChI

InChI=1S/C20H26BrNO2/c1-3-4-12-24-20-18(21)13-17(14-19(20)23-2)15-22-11-10-16-8-6-5-7-9-16/h5-9,13-14,22H,3-4,10-12,15H2,1-2H3/p+1