[(2R)-2-(3-ethoxyphenyl)-2-[4-(hydroxymethyl)piperidin-1-ium-1-yl]ethyl]azanium

Systemtic Name: [(2R)-2-(3-ethoxyphenyl)-2-[4-(hydroxymethyl)piperidin-1-ium-1-yl]ethyl]azanium Openeye Name: [(2R)-2-(3-ethoxyphenyl)-2-[4-(hydroxymethyl)piperidin-1-ium-1-yl]ethyl]ammonium CAS Name: [(2R)-2-(3-ethoxyphenyl)-2-[4-(hydroxymethyl)-1-piperidin-1-iumyl]ethyl]ammonium IUPAC Name: [(2R)-2-(3-ethoxyphenyl)-2-[4-(hydroxymethyl)piperidin-1-ium-1-yl]ethyl]azanium Traditional Name: [(2R)-2-(4-methylolpiperidin-1-ium-1-yl)-2-m-phenetyl-ethyl]ammonium Formula: C16H28N2O2+2 MolecularWeight: 280.40572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(C[NH3+])[NH+]2CCC(CC2)CO

Isomeric SMILES

CCOC1=CC=CC(=C1)[C@H](C[NH3+])[NH+]2CCC(CC2)CO

InChI

InChI=1S/C16H26N2O2/c1-2-20-15-5-3-4-14(10-15)16(11-17)18-8-6-13(12-19)7-9-18/h3-5,10,13,16,19H,2,6-9,11-12,17H2,1H3/p+2/t16-/m0/s1