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

Systemtic Name: 4-[(1S)-1-oxidanyl-3-piperidin-1-ium-1-yl-1-(4-propoxyphenyl)propyl]phenol Openeye Name: 4-[(1S)-1-hydroxy-3-piperidin-1-ium-1-yl-1-(4-propoxyphenyl)propyl]phenol CAS Name: 4-[(1S)-1-hydroxy-3-(1-piperidin-1-iumyl)-1-(4-propoxyphenyl)propyl]phenol IUPAC Name: 4-[(1S)-1-hydroxy-3-piperidin-1-ium-1-yl-1-(4-propoxyphenyl)propyl]phenol Traditional Name: 4-[(1S)-1-hydroxy-3-piperidin-1-ium-1-yl-1-(4-propoxyphenyl)propyl]phenol Formula: C23H32NO3+ MolecularWeight: 370.50508

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(CC[NH+]2CCCCC2)(C3=CC=C(C=C3)O)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)[C@](CC[NH+]2CCCCC2)(C3=CC=C(C=C3)O)O

InChI

InChI=1S/C23H31NO3/c1-2-18-27-22-12-8-20(9-13-22)23(26,19-6-10-21(25)11-7-19)14-17-24-15-4-3-5-16-24/h6-13,25-26H,2-5,14-18H2,1H3/p+1/t23-/m0/s1