(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-[(2R)-4-(furan-2-yl)butan-2-yl]azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-[(2R)-4-(furan-2-yl)butan-2-yl]azanium Openeye Name: (3-bromo-4-hydroxy-5-methoxy-phenyl)methyl-[(1R)-3-(2-furyl)-1-methyl-propyl]ammonium CAS Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-[(2R)-4-(2-furanyl)butan-2-yl]ammonium IUPAC Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-[(2R)-4-(furan-2-yl)butan-2-yl]azanium Traditional Name: (3-bromo-4-hydroxy-5-methoxy-benzyl)-[(1R)-3-(2-furyl)-1-methyl-propyl]ammonium Formula: C16H21BrNO3+ MolecularWeight: 355.24684

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CO1)[NH2+]CC2=CC(=C(C(=C2)Br)O)OC

Isomeric SMILES

C[C@H](CCC1=CC=CO1)[NH2+]CC2=CC(=C(C(=C2)Br)O)OC

InChI

InChI=1S/C16H20BrNO3/c1-11(5-6-13-4-3-7-21-13)18-10-12-8-14(17)16(19)15(9-12)20-2/h3-4,7-9,11,18-19H,5-6,10H2,1-2H3/p+1/t11-/m1/s1