(3R)-1-[(4-methyl-2-oxidanyl-5-propan-2-yl-phenyl)methyl]piperidin-1-ium-3-ol

Systemtic Name: (3R)-1-[(4-methyl-2-oxidanyl-5-propan-2-yl-phenyl)methyl]piperidin-1-ium-3-ol Openeye Name: (3R)-1-[(2-hydroxy-5-isopropyl-4-methyl-phenyl)methyl]piperidin-1-ium-3-ol CAS Name: (3R)-1-[(2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl]-3-piperidin-1-iumol IUPAC Name: (3R)-1-[(2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl]piperidin-1-ium-3-ol Traditional Name: (3R)-1-(2-hydroxy-5-isopropyl-4-methyl-benzyl)piperidin-1-ium-3-ol Formula: C16H26NO2+ MolecularWeight: 264.38314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(C)C)C[NH+]2CCCC(C2)O)O

Isomeric SMILES

CC1=CC(=C(C=C1C(C)C)C[NH+]2CCC[C@H](C2)O)O

InChI

InChI=1S/C16H25NO2/c1-11(2)15-8-13(16(19)7-12(15)3)9-17-6-4-5-14(18)10-17/h7-8,11,14,18-19H,4-6,9-10H2,1-3H3/p+1/t14-/m1/s1