2-[[2-chloranyl-5-methoxy-4-[(2R)-1-oxidanylpropan-2-yl]oxy-phenyl]methylazaniumyl]ethyl-dimethyl-azanium

Systemtic Name: 2-[[2-chloranyl-5-methoxy-4-[(2R)-1-oxidanylpropan-2-yl]oxy-phenyl]methylazaniumyl]ethyl-dimethyl-azanium Openeye Name: 2-[[2-chloro-4-[(1R)-2-hydroxy-1-methyl-ethoxy]-5-methoxy-phenyl]methylammonio]ethyl-dimethyl-ammonium CAS Name: 2-[[2-chloro-4-[(2R)-1-hydroxypropan-2-yl]oxy-5-methoxyphenyl]methylammonio]ethyl-dimethylammonium IUPAC Name: 2-[[2-chloro-4-[(2R)-1-hydroxypropan-2-yl]oxy-5-methoxyphenyl]methylazaniumyl]ethyl-dimethylazanium Traditional Name: 2-[[2-chloro-4-[(1R)-2-hydroxy-1-methyl-ethoxy]-5-methoxy-benzyl]ammonio]ethyl-dimethyl-ammonium Formula: C15H27ClN2O3+2 MolecularWeight: 318.83948

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)OC1=C(C=C(C(=C1)Cl)C[NH2+]CC[NH+](C)C)OC

Isomeric SMILES

C[C@H](CO)OC1=C(C=C(C(=C1)Cl)C[NH2+]CC[NH+](C)C)OC

InChI

InChI=1S/C15H25ClN2O3/c1-11(10-19)21-15-8-13(16)12(7-14(15)20-4)9-17-5-6-18(2)3/h7-8,11,17,19H,5-6,9-10H2,1-4H3/p+2/t11-/m1/s1