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

Systemtic Name: (3-bromanyl-4-butoxy-5-methoxy-phenyl)methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(3-bromo-4-butoxy-5-methoxy-phenyl)methyl]ammonium CAS Name: (3-bromo-4-butoxy-5-methoxyphenyl)methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(3-bromo-4-butoxy-5-methoxyphenyl)methyl]azanium Traditional Name: benzyl-(3-bromo-4-butoxy-5-methoxy-benzyl)ammonium Formula: C19H25BrNO2+ MolecularWeight: 379.3113

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1Br)C[NH2+]CC2=CC=CC=C2)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1Br)C[NH2+]CC2=CC=CC=C2)OC

InChI

InChI=1S/C19H24BrNO2/c1-3-4-10-23-19-17(20)11-16(12-18(19)22-2)14-21-13-15-8-6-5-7-9-15/h5-9,11-12,21H,3-4,10,13-14H2,1-2H3/p+1