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

Systemtic Name: [(2R)-2-[4-(hydroxymethyl)piperidin-1-ium-1-yl]-2-(3-propoxyphenyl)ethyl]azanium Openeye Name: [(2R)-2-[4-(hydroxymethyl)piperidin-1-ium-1-yl]-2-(3-propoxyphenyl)ethyl]ammonium CAS Name: [(2R)-2-[4-(hydroxymethyl)-1-piperidin-1-iumyl]-2-(3-propoxyphenyl)ethyl]ammonium IUPAC Name: [(2R)-2-[4-(hydroxymethyl)piperidin-1-ium-1-yl]-2-(3-propoxyphenyl)ethyl]azanium Traditional Name: [(2R)-2-(4-methylolpiperidin-1-ium-1-yl)-2-(3-propoxyphenyl)ethyl]ammonium Formula: C17H30N2O2+2 MolecularWeight: 294.4323

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(C[NH3+])[NH+]2CCC(CC2)CO

Isomeric SMILES

CCCOC1=CC=CC(=C1)[C@H](C[NH3+])[NH+]2CCC(CC2)CO

InChI

InChI=1S/C17H28N2O2/c1-2-10-21-16-5-3-4-15(11-16)17(12-18)19-8-6-14(13-20)7-9-19/h3-5,11,14,17,20H,2,6-10,12-13,18H2,1H3/p+2/t17-/m0/s1