(3S)-3-[[4-(2-methylbutan-2-yl)phenoxy]methyl]piperidin-1-ium

Systemtic Name: (3S)-3-[[4-(2-methylbutan-2-yl)phenoxy]methyl]piperidin-1-ium Openeye Name: (3S)-3-[[4-(1,1-dimethylpropyl)phenoxy]methyl]piperidin-1-ium CAS Name: (3S)-3-[[4-(2-methylbutan-2-yl)phenoxy]methyl]piperidin-1-ium IUPAC Name: (3S)-3-[[4-(2-methylbutan-2-yl)phenoxy]methyl]piperidin-1-ium Traditional Name: (3S)-3-[(4-tert-amylphenoxy)methyl]piperidin-1-ium Formula: C17H28NO+ MolecularWeight: 262.41032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO/c1-4-17(2,3)15-7-9-16(10-8-15)19-13-14-6-5-11-18-12-14/h7-10,14,18H,4-6,11-13H2,1-3H3/p+1/t14-/m0/s1