4-[(3S)-3-oxidanyl-1-piperidin-1-ium-1-yl-hexan-3-yl]phenol

Systemtic Name: 4-[(3S)-3-oxidanyl-1-piperidin-1-ium-1-yl-hexan-3-yl]phenol Openeye Name: 4-[(1S)-1-hydroxy-1-(2-piperidin-1-ium-1-ylethyl)butyl]phenol CAS Name: 4-[(3S)-3-hydroxy-1-(1-piperidin-1-iumyl)hexan-3-yl]phenol IUPAC Name: 4-[(3S)-3-hydroxy-1-piperidin-1-ium-1-ylhexan-3-yl]phenol Traditional Name: 4-[(1S)-1-hydroxy-1-(2-piperidin-1-ium-1-ylethyl)butyl]phenol Formula: C17H28NO2+ MolecularWeight: 278.40972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO2/c1-2-10-17(20,15-6-8-16(19)9-7-15)11-14-18-12-4-3-5-13-18/h6-9,19-20H,2-5,10-14H2,1H3/p+1/t17-/m0/s1