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

Systemtic Name: (3S)-3-[4-(2-phenylpropan-2-yl)phenoxy]piperidin-1-ium Openeye Name: (3S)-3-[4-(1-methyl-1-phenyl-ethyl)phenoxy]piperidin-1-ium CAS Name: (3S)-3-[4-(2-phenylpropan-2-yl)phenoxy]piperidin-1-ium IUPAC Name: (3S)-3-[4-(2-phenylpropan-2-yl)phenoxy]piperidin-1-ium Traditional Name: (3S)-3-(4-cumylphenoxy)piperidin-1-ium Formula: C20H26NO+ MolecularWeight: 296.42654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OC3CCC[NH2+]C3

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO/c1-20(2,16-7-4-3-5-8-16)17-10-12-18(13-11-17)22-19-9-6-14-21-15-19/h3-5,7-8,10-13,19,21H,6,9,14-15H2,1-2H3/p+1/t19-/m0/s1