[1-[(2S)-2-(2,5-dimethylphenyl)-2-oxidanyl-ethyl]piperidin-1-ium-4-yl]azanium

Systemtic Name: [1-[(2S)-2-(2,5-dimethylphenyl)-2-oxidanyl-ethyl]piperidin-1-ium-4-yl]azanium Openeye Name: [1-[(2S)-2-(2,5-dimethylphenyl)-2-hydroxy-ethyl]piperidin-1-ium-4-yl]ammonium CAS Name: [1-[(2S)-2-(2,5-dimethylphenyl)-2-hydroxyethyl]-4-piperidin-1-iumyl]ammonium IUPAC Name: [1-[(2S)-2-(2,5-dimethylphenyl)-2-hydroxyethyl]piperidin-1-ium-4-yl]azanium Traditional Name: [1-[(2S)-2-(2,5-dimethylphenyl)-2-hydroxy-ethyl]piperidin-1-ium-4-yl]ammonium Formula: C15H26N2O+2 MolecularWeight: 250.37974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N2O/c1-11-3-4-12(2)14(9-11)15(18)10-17-7-5-13(16)6-8-17/h3-4,9,13,15,18H,5-8,10,16H2,1-2H3/p+2/t15-/m1/s1