[(2R)-2-[4-(hydroxymethyl)piperidin-1-ium-1-yl]-2-(4-propan-2-ylphenyl)ethyl]azanium

Systemtic Name: [(2R)-2-[4-(hydroxymethyl)piperidin-1-ium-1-yl]-2-(4-propan-2-ylphenyl)ethyl]azanium Openeye Name: [(2R)-2-[4-(hydroxymethyl)piperidin-1-ium-1-yl]-2-(4-isopropylphenyl)ethyl]ammonium CAS Name: [(2R)-2-[4-(hydroxymethyl)-1-piperidin-1-iumyl]-2-(4-propan-2-ylphenyl)ethyl]ammonium IUPAC Name: [(2R)-2-[4-(hydroxymethyl)piperidin-1-ium-1-yl]-2-(4-propan-2-ylphenyl)ethyl]azanium Traditional Name: [(2R)-2-(4-methylolpiperidin-1-ium-1-yl)-2-p-cumenyl-ethyl]ammonium Formula: C17H30N2O+2 MolecularWeight: 278.4329

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O/c1-13(2)15-3-5-16(6-4-15)17(11-18)19-9-7-14(12-20)8-10-19/h3-6,13-14,17,20H,7-12,18H2,1-2H3/p+2/t17-/m0/s1