5-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-2-methoxy-aniline

Systemtic Name: 5-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-2-methoxy-aniline Openeye Name: 5-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-2-methoxy-aniline CAS Name: 5-[[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]methyl]-2-methoxyaniline IUPAC Name: 5-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-2-methoxyaniline Traditional Name: [5-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-2-methoxy-phenyl]amine Formula: C15H25N2O+ MolecularWeight: 249.3718

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC2=CC(=C(C=C2)OC)N)C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)CC2=CC(=C(C=C2)OC)N)C

InChI

InChI=1S/C15H24N2O/c1-11-6-12(2)9-17(8-11)10-13-4-5-15(18-3)14(16)7-13/h4-5,7,11-12H,6,8-10,16H2,1-3H3/p+1/t11-,12-/m0/s1