[(2R)-2-(3-ethoxyphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]azanium

Systemtic Name: [(2R)-2-(3-ethoxyphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]azanium Openeye Name: [(2R)-2-(3-ethoxyphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]ammonium CAS Name: [(2R)-2-(3-ethoxyphenyl)-2-[(2S)-2-methyl-1-piperidin-1-iumyl]ethyl]ammonium IUPAC Name: [(2R)-2-(3-ethoxyphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]azanium Traditional Name: [(2R)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]-2-m-phenetyl-ethyl]ammonium Formula: C16H28N2O+2 MolecularWeight: 264.40632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(C[NH3+])[NH+]2CCCCC2C

Isomeric SMILES

CCOC1=CC=CC(=C1)[C@H](C[NH3+])[NH+]2CCCC[C@@H]2C

InChI

InChI=1S/C16H26N2O/c1-3-19-15-9-6-8-14(11-15)16(12-17)18-10-5-4-7-13(18)2/h6,8-9,11,13,16H,3-5,7,10,12,17H2,1-2H3/p+2/t13-,16-/m0/s1