1-[(2S)-4-(3,4-dimethylphenoxy)-2-oxidanyl-butyl]-2,2,6,6-tetramethyl-piperidin-1-ium-4-ol

Systemtic Name: 1-[(2S)-4-(3,4-dimethylphenoxy)-2-oxidanyl-butyl]-2,2,6,6-tetramethyl-piperidin-1-ium-4-ol Openeye Name: 1-[(2S)-4-(3,4-dimethylphenoxy)-2-hydroxy-butyl]-2,2,6,6-tetramethyl-piperidin-1-ium-4-ol CAS Name: 1-[(2S)-4-(3,4-dimethylphenoxy)-2-hydroxybutyl]-2,2,6,6-tetramethyl-4-piperidin-1-iumol IUPAC Name: 1-[(2S)-4-(3,4-dimethylphenoxy)-2-hydroxybutyl]-2,2,6,6-tetramethylpiperidin-1-ium-4-ol Traditional Name: 1-[(2S)-4-(3,4-dimethylphenoxy)-2-hydroxy-butyl]-2,2,6,6-tetramethyl-piperidin-1-ium-4-ol Formula: C21H36NO3+ MolecularWeight: 350.51544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35NO3/c1-15-7-8-19(11-16(15)2)25-10-9-17(23)14-22-20(3,4)12-18(24)13-21(22,5)6/h7-8,11,17-18,23-24H,9-10,12-14H2,1-6H3/p+1/t17-/m0/s1