(1R,3S)-1-(aminomethyl)-6-bromanyl-3-phenyl-3,4-dihydro-1H-isochromen-5-ol chloride

Systemtic Name: (1R,3S)-1-(aminomethyl)-6-bromanyl-3-phenyl-3,4-dihydro-1H-isochromen-5-ol chloride Openeye Name: (1R,3S)-1-(aminomethyl)-6-bromo-3-phenyl-isochroman-5-ol chloride CAS Name: (1R,3S)-1-(aminomethyl)-6-bromo-3-phenyl-3,4-dihydro-1H-2-benzopyran-5-ol chloride IUPAC Name: (1R,3S)-1-(aminomethyl)-6-bromo-3-phenyl-3,4-dihydro-1H-isochromen-5-ol chloride Traditional Name: (1R,3S)-1-(aminomethyl)-6-bromo-3-phenyl-isochroman-5-ol chloride Formula: C16H16BrClNO2- MolecularWeight: 369.66074

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(C2=C1C(=C(C=C2)Br)O)CN)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

C1[C@H](O[C@H](C2=C1C(=C(C=C2)Br)O)CN)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C16H16BrNO2.ClH/c17-13-7-6-11-12(16(13)19)8-14(20-15(11)9-18)10-4-2-1-3-5-10;/h1-7,14-15,19H,8-9,18H2;1H/p-1/t14-,15-;/m0./s1