(2R)-2-[(5-methyl-2-propan-2-yl-phenoxy)methyl]piperidin-1-ium

Systemtic Name: (2R)-2-[(5-methyl-2-propan-2-yl-phenoxy)methyl]piperidin-1-ium Openeye Name: (2R)-2-[(2-isopropyl-5-methyl-phenoxy)methyl]piperidin-1-ium CAS Name: (2R)-2-[(5-methyl-2-propan-2-ylphenoxy)methyl]piperidin-1-ium IUPAC Name: (2R)-2-[(5-methyl-2-propan-2-ylphenoxy)methyl]piperidin-1-ium Traditional Name: (2R)-2-[(2-isopropyl-5-methyl-phenoxy)methyl]piperidin-1-ium Formula: C16H26NO+ MolecularWeight: 248.38374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC2CCCC[NH2+]2

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OC[C@H]2CCCC[NH2+]2

InChI

InChI=1S/C16H25NO/c1-12(2)15-8-7-13(3)10-16(15)18-11-14-6-4-5-9-17-14/h7-8,10,12,14,17H,4-6,9,11H2,1-3H3/p+1/t14-/m1/s1