(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]azanium Openeye Name: (3-bromo-4-hydroxy-5-methoxy-phenyl)methyl-[(4S)-4,5,6,7-tetrahydrobenzofuran-4-yl]ammonium CAS Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-[(4S)-4,5,6,7-tetrahydrobenzofuran-4-yl]ammonium IUPAC Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]azanium Traditional Name: (3-bromo-4-hydroxy-5-methoxy-benzyl)-[(4S)-4,5,6,7-tetrahydrobenzofuran-4-yl]ammonium Formula: C16H19BrNO3+ MolecularWeight: 353.23096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]C2CCCC3=C2C=CO3)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+][C@H]2CCCC3=C2C=CO3)Br)O

InChI

InChI=1S/C16H18BrNO3/c1-20-15-8-10(7-12(17)16(15)19)9-18-13-3-2-4-14-11(13)5-6-21-14/h5-8,13,18-19H,2-4,9H2,1H3/p+1/t13-/m0/s1