5-pentyl-2-(1-phenethylpiperidin-1-ium-1-yl)benzene-1,3-diol hydrochloride

Systemtic Name: 5-pentyl-2-(1-phenethylpiperidin-1-ium-1-yl)benzene-1,3-diol hydrochloride Openeye Name: 5-pentyl-2-(1-phenethylpiperidin-1-ium-1-yl)benzene-1,3-diol hydrochloride CAS Name: 5-pentyl-2-(1-phenethyl-1-piperidin-1-iumyl)benzene-1,3-diol hydrochloride IUPAC Name: 5-pentyl-2-(1-phenethylpiperidin-1-ium-1-yl)benzene-1,3-diol hydrochloride Traditional Name: 5-amyl-2-(1-phenethylpiperidin-1-ium-1-yl)resorcinol hydrochloride Formula: C24H35ClNO2+ MolecularWeight: 404.9932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C(=C1)O)[N+]2(CCCCC2)CCC3=CC=CC=C3)O.Cl

Isomeric SMILES

CCCCCC1=CC(=C(C(=C1)O)[N+]2(CCCCC2)CCC3=CC=CC=C3)O.Cl

InChI

InChI=1S/C24H33NO2.ClH/c1-2-3-6-13-21-18-22(26)24(23(27)19-21)25(15-9-5-10-16-25)17-14-20-11-7-4-8-12-20;/h4,7-8,11-12,18-19H,2-3,5-6,9-10,13-17H2,1H3,(H-,26,27);1H/p+1