(3-bromanyl-4,5-dimethoxy-phenyl)methyl-[2-[[(2R)-2-oxidanylpropyl]azaniumyl]ethyl]azanium

Systemtic Name: (3-bromanyl-4,5-dimethoxy-phenyl)methyl-[2-[[(2R)-2-oxidanylpropyl]azaniumyl]ethyl]azanium Openeye Name: (3-bromo-4,5-dimethoxy-phenyl)methyl-[2-[[(2R)-2-hydroxypropyl]ammonio]ethyl]ammonium CAS Name: (3-bromo-4,5-dimethoxyphenyl)methyl-[2-[[(2R)-2-hydroxypropyl]ammonio]ethyl]ammonium IUPAC Name: (3-bromo-4,5-dimethoxyphenyl)methyl-[2-[[(2R)-2-hydroxypropyl]azaniumyl]ethyl]azanium Traditional Name: (3-bromo-4,5-dimethoxy-benzyl)-[2-[[(2R)-2-hydroxypropyl]ammonio]ethyl]ammonium Formula: C14H25BrN2O3+2 MolecularWeight: 349.2639

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH2+]CC[NH2+]CC1=CC(=C(C(=C1)Br)OC)OC)O

Isomeric SMILES

C[C@H](C[NH2+]CC[NH2+]CC1=CC(=C(C(=C1)Br)OC)OC)O

InChI

InChI=1S/C14H23BrN2O3/c1-10(18)8-16-4-5-17-9-11-6-12(15)14(20-3)13(7-11)19-2/h6-7,10,16-18H,4-5,8-9H2,1-3H3/p+2/t10-/m1/s1