[1-[(2S)-2-(4-methylphenyl)-2-oxidanyl-ethyl]piperidin-1-ium-4-yl]azanium

Systemtic Name: [1-[(2S)-2-(4-methylphenyl)-2-oxidanyl-ethyl]piperidin-1-ium-4-yl]azanium Openeye Name: [1-[(2S)-2-hydroxy-2-(p-tolyl)ethyl]piperidin-1-ium-4-yl]ammonium CAS Name: [1-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-4-piperidin-1-iumyl]ammonium IUPAC Name: [1-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-1-ium-4-yl]azanium Traditional Name: [1-[(2S)-2-hydroxy-2-(p-tolyl)ethyl]piperidin-1-ium-4-yl]ammonium Formula: C14H24N2O+2 MolecularWeight: 236.35316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C[NH+]2CCC(CC2)[NH3+])O

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2O/c1-11-2-4-12(5-3-11)14(17)10-16-8-6-13(15)7-9-16/h2-5,13-14,17H,6-10,15H2,1H3/p+2/t14-/m1/s1