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

Systemtic Name: (3S)-3-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]piperidin-1-ium Openeye Name: (3S)-3-[[4-(1-methyl-1-phenyl-ethyl)phenoxy]methyl]piperidin-1-ium CAS Name: (3S)-3-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]piperidin-1-ium IUPAC Name: (3S)-3-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]piperidin-1-ium Traditional Name: (3S)-3-[(4-cumylphenoxy)methyl]piperidin-1-ium Formula: C21H28NO+ MolecularWeight: 310.45312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCC3CCC[NH2+]C3

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OC[C@H]3CCC[NH2+]C3

InChI

InChI=1S/C21H27NO/c1-21(2,18-8-4-3-5-9-18)19-10-12-20(13-11-19)23-16-17-7-6-14-22-15-17/h3-5,8-13,17,22H,6-7,14-16H2,1-2H3/p+1/t17-/m0/s1