(2-bromanyl-4-butoxy-5-methoxy-phenyl)methyl-[(2R)-1-oxidanylbutan-2-yl]azanium

Systemtic Name: (2-bromanyl-4-butoxy-5-methoxy-phenyl)methyl-[(2R)-1-oxidanylbutan-2-yl]azanium Openeye Name: (2-bromo-4-butoxy-5-methoxy-phenyl)methyl-[(1R)-1-(hydroxymethyl)propyl]ammonium CAS Name: (2-bromo-4-butoxy-5-methoxyphenyl)methyl-[(2R)-1-hydroxybutan-2-yl]ammonium IUPAC Name: (2-bromo-4-butoxy-5-methoxyphenyl)methyl-[(2R)-1-hydroxybutan-2-yl]azanium Traditional Name: (2-bromo-4-butoxy-5-methoxy-benzyl)-[(1R)-1-methylolpropyl]ammonium Formula: C16H27BrNO3+ MolecularWeight: 361.29448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C(=C1)Br)C[NH2+]C(CC)CO)OC

Isomeric SMILES

CCCCOC1=C(C=C(C(=C1)Br)C[NH2+][C@H](CC)CO)OC

InChI

InChI=1S/C16H26BrNO3/c1-4-6-7-21-16-9-14(17)12(8-15(16)20-3)10-18-13(5-2)11-19/h8-9,13,18-19H,4-7,10-11H2,1-3H3/p+1/t13-/m1/s1