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

Systemtic Name: [1-[(2S)-2-(4-tert-butylphenyl)-2-oxidanyl-ethyl]piperidin-1-ium-4-yl]azanium Openeye Name: [1-[(2S)-2-(4-tert-butylphenyl)-2-hydroxy-ethyl]piperidin-1-ium-4-yl]ammonium CAS Name: [1-[(2S)-2-(4-tert-butylphenyl)-2-hydroxyethyl]-4-piperidin-1-iumyl]ammonium IUPAC Name: [1-[(2S)-2-(4-tert-butylphenyl)-2-hydroxyethyl]piperidin-1-ium-4-yl]azanium Traditional Name: [1-[(2S)-2-(4-tert-butylphenyl)-2-hydroxy-ethyl]piperidin-1-ium-4-yl]ammonium Formula: C17H30N2O+2 MolecularWeight: 278.4329

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O/c1-17(2,3)14-6-4-13(5-7-14)16(20)12-19-10-8-15(18)9-11-19/h4-7,15-16,20H,8-12,18H2,1-3H3/p+2/t16-/m1/s1