(3S,5S)-1-[(3-ethoxy-4-methoxy-phenyl)methyl]-3,5-dimethyl-piperidin-1-ium

Systemtic Name: (3S,5S)-1-[(3-ethoxy-4-methoxy-phenyl)methyl]-3,5-dimethyl-piperidin-1-ium Openeye Name: (3S,5S)-1-[(3-ethoxy-4-methoxy-phenyl)methyl]-3,5-dimethyl-piperidin-1-ium CAS Name: (3S,5S)-1-[(3-ethoxy-4-methoxyphenyl)methyl]-3,5-dimethylpiperidin-1-ium IUPAC Name: (3S,5S)-1-[(3-ethoxy-4-methoxyphenyl)methyl]-3,5-dimethylpiperidin-1-ium Traditional Name: (3S,5S)-1-(3-ethoxy-4-methoxy-benzyl)-3,5-dimethyl-piperidin-1-ium Formula: C17H28NO2+ MolecularWeight: 278.40972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CC(CC(C2)C)C)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2C[C@H](C[C@@H](C2)C)C)OC

InChI

InChI=1S/C17H27NO2/c1-5-20-17-9-15(6-7-16(17)19-4)12-18-10-13(2)8-14(3)11-18/h6-7,9,13-14H,5,8,10-12H2,1-4H3/p+1/t13-,14-/m0/s1