(3S)-3-[(2-tert-butyl-4-methoxy-phenoxy)methyl]piperidin-1-ium

Systemtic Name: (3S)-3-[(2-tert-butyl-4-methoxy-phenoxy)methyl]piperidin-1-ium Openeye Name: (3S)-3-[(2-tert-butyl-4-methoxy-phenoxy)methyl]piperidin-1-ium CAS Name: (3S)-3-[(2-tert-butyl-4-methoxyphenoxy)methyl]piperidin-1-ium IUPAC Name: (3S)-3-[(2-tert-butyl-4-methoxyphenoxy)methyl]piperidin-1-ium Traditional Name: (3S)-3-[(2-tert-butyl-4-methoxy-phenoxy)methyl]piperidin-1-ium Formula: C17H28NO2+ MolecularWeight: 278.40972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)OC)OCC2CCC[NH2+]C2

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)OC)OC[C@H]2CCC[NH2+]C2

InChI

InChI=1S/C17H27NO2/c1-17(2,3)15-10-14(19-4)7-8-16(15)20-12-13-6-5-9-18-11-13/h7-8,10,13,18H,5-6,9,11-12H2,1-4H3/p+1/t13-/m0/s1