(3S)-3-phenyl-1-piperidin-1-ium-1-yl-octan-3-ol

Systemtic Name: (3S)-3-phenyl-1-piperidin-1-ium-1-yl-octan-3-ol Openeye Name: (3S)-3-phenyl-1-piperidin-1-ium-1-yl-octan-3-ol CAS Name: (3S)-3-phenyl-1-(1-piperidin-1-iumyl)-3-octanol IUPAC Name: (3S)-3-phenyl-1-piperidin-1-ium-1-yloctan-3-ol Traditional Name: (3S)-3-phenyl-1-piperidin-1-ium-1-yl-octan-3-ol Formula: C19H32NO+ MolecularWeight: 290.46348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC[NH+]1CCCCC1)(C2=CC=CC=C2)O

Isomeric SMILES

CCCCC[C@](CC[NH+]1CCCCC1)(C2=CC=CC=C2)O

InChI

InChI=1S/C19H31NO/c1-2-3-8-13-19(21,18-11-6-4-7-12-18)14-17-20-15-9-5-10-16-20/h4,6-7,11-12,21H,2-3,5,8-10,13-17H2,1H3/p+1/t19-/m0/s1