(5-bromanyl-2-ethoxy-3-methoxy-phenyl)methyl-[(2S)-2-oxidanylpropyl]azanium

Systemtic Name: (5-bromanyl-2-ethoxy-3-methoxy-phenyl)methyl-[(2S)-2-oxidanylpropyl]azanium Openeye Name: (5-bromo-2-ethoxy-3-methoxy-phenyl)methyl-[(2S)-2-hydroxypropyl]ammonium CAS Name: (5-bromo-2-ethoxy-3-methoxyphenyl)methyl-[(2S)-2-hydroxypropyl]ammonium IUPAC Name: (5-bromo-2-ethoxy-3-methoxyphenyl)methyl-[(2S)-2-hydroxypropyl]azanium Traditional Name: (5-bromo-2-ethoxy-3-methoxy-benzyl)-[(2S)-2-hydroxypropyl]ammonium Formula: C13H21BrNO3+ MolecularWeight: 319.21474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1C[NH2+]CC(C)O)Br)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1C[NH2+]C[C@H](C)O)Br)OC

InChI

InChI=1S/C13H20BrNO3/c1-4-18-13-10(8-15-7-9(2)16)5-11(14)6-12(13)17-3/h5-6,9,15-16H,4,7-8H2,1-3H3/p+1/t9-/m0/s1