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

Systemtic Name: [(2R)-2-[4-(hydroxymethyl)piperidin-1-ium-1-yl]-2-(2-methylphenyl)ethyl]azanium Openeye Name: [(2R)-2-[4-(hydroxymethyl)piperidin-1-ium-1-yl]-2-(o-tolyl)ethyl]ammonium CAS Name: [(2R)-2-[4-(hydroxymethyl)-1-piperidin-1-iumyl]-2-(2-methylphenyl)ethyl]ammonium IUPAC Name: [(2R)-2-[4-(hydroxymethyl)piperidin-1-ium-1-yl]-2-(2-methylphenyl)ethyl]azanium Traditional Name: [(2R)-2-(4-methylolpiperidin-1-ium-1-yl)-2-(o-tolyl)ethyl]ammonium Formula: C15H26N2O+2 MolecularWeight: 250.37974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C[NH3+])[NH+]2CCC(CC2)CO

Isomeric SMILES

CC1=CC=CC=C1[C@H](C[NH3+])[NH+]2CCC(CC2)CO

InChI

InChI=1S/C15H24N2O/c1-12-4-2-3-5-14(12)15(10-16)17-8-6-13(11-18)7-9-17/h2-5,13,15,18H,6-11,16H2,1H3/p+2/t15-/m0/s1