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

Systemtic Name: (3S)-1-[(3-ethoxy-4-methoxy-phenyl)methyl]-3-methyl-piperidin-1-ium Openeye Name: (3S)-1-[(3-ethoxy-4-methoxy-phenyl)methyl]-3-methyl-piperidin-1-ium CAS Name: (3S)-1-[(3-ethoxy-4-methoxyphenyl)methyl]-3-methylpiperidin-1-ium IUPAC Name: (3S)-1-[(3-ethoxy-4-methoxyphenyl)methyl]-3-methylpiperidin-1-ium Traditional Name: (3S)-1-(3-ethoxy-4-methoxy-benzyl)-3-methyl-piperidin-1-ium Formula: C16H26NO2+ MolecularWeight: 264.38314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO2/c1-4-19-16-10-14(7-8-15(16)18-3)12-17-9-5-6-13(2)11-17/h7-8,10,13H,4-6,9,11-12H2,1-3H3/p+1/t13-/m0/s1