(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-[(1S)-2,3-dihydro-1H-inden-1-yl]azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-[(1S)-2,3-dihydro-1H-inden-1-yl]azanium Openeye Name: (3-bromo-4-hydroxy-5-methoxy-phenyl)methyl-[(1S)-indan-1-yl]ammonium CAS Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-[(1S)-2,3-dihydro-1H-inden-1-yl]ammonium IUPAC Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-[(1S)-2,3-dihydro-1H-inden-1-yl]azanium Traditional Name: (3-bromo-4-hydroxy-5-methoxy-benzyl)-[(1S)-indan-1-yl]ammonium Formula: C17H19BrNO2+ MolecularWeight: 349.24226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]C2CCC3=CC=CC=C23)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+][C@H]2CCC3=CC=CC=C23)Br)O

InChI

InChI=1S/C17H18BrNO2/c1-21-16-9-11(8-14(18)17(16)20)10-19-15-7-6-12-4-2-3-5-13(12)15/h2-5,8-9,15,19-20H,6-7,10H2,1H3/p+1/t15-/m0/s1