[(1R)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]-(1-propylpiperidin-1-ium-4-yl)azanium

Systemtic Name: [(1R)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]-(1-propylpiperidin-1-ium-4-yl)azanium Openeye Name: [(1R)-1-(5-bromo-2-hydroxy-phenyl)propyl]-(1-propylpiperidin-1-ium-4-yl)ammonium CAS Name: [(1R)-1-(5-bromo-2-hydroxyphenyl)propyl]-(1-propyl-4-piperidin-1-iumyl)ammonium IUPAC Name: [(1R)-1-(5-bromo-2-hydroxyphenyl)propyl]-(1-propylpiperidin-1-ium-4-yl)azanium Traditional Name: [(1R)-1-(5-bromo-2-hydroxy-phenyl)propyl]-(1-propylpiperidin-1-ium-4-yl)ammonium Formula: C17H29BrN2O+2 MolecularWeight: 357.32896

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)[NH2+]C(CC)C2=C(C=CC(=C2)Br)O

Isomeric SMILES

CCC[NH+]1CCC(CC1)[NH2+][C@H](CC)C2=C(C=CC(=C2)Br)O

InChI

InChI=1S/C17H27BrN2O/c1-3-9-20-10-7-14(8-11-20)19-16(4-2)15-12-13(18)5-6-17(15)21/h5-6,12,14,16,19,21H,3-4,7-11H2,1-2H3/p+2/t16-/m1/s1