[5-[(1S)-1-azaniumylethyl]-2-methoxy-phenyl]methyl-dimethyl-azanium

Systemtic Name: [5-[(1S)-1-azaniumylethyl]-2-methoxy-phenyl]methyl-dimethyl-azanium Openeye Name: [5-[(1S)-1-azaniumylethyl]-2-methoxy-phenyl]methyl-dimethyl-ammonium CAS Name: [5-[(1S)-1-ammonioethyl]-2-methoxyphenyl]methyl-dimethylammonium IUPAC Name: [5-[(1S)-1-azaniumylethyl]-2-methoxyphenyl]methyl-dimethylazanium Traditional Name: [5-[(1S)-1-ammonioethyl]-2-methoxy-benzyl]-dimethyl-ammonium Formula: C12H22N2O+2 MolecularWeight: 210.31588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OC)C[NH+](C)C)[NH3+]

Isomeric SMILES

C[C@@H](C1=CC(=C(C=C1)OC)C[NH+](C)C)[NH3+]

InChI

InChI=1S/C12H20N2O/c1-9(13)10-5-6-12(15-4)11(7-10)8-14(2)3/h5-7,9H,8,13H2,1-4H3/p+2/t9-/m0/s1