2-[(2Z)-2-ethylidene-1-methyl-piperidin-1-ium-1-yl]-5-pentyl-benzene-1,3-diol hydrochloride

Systemtic Name: 2-[(2Z)-2-ethylidene-1-methyl-piperidin-1-ium-1-yl]-5-pentyl-benzene-1,3-diol hydrochloride Openeye Name: 2-[(2Z)-2-ethylidene-1-methyl-piperidin-1-ium-1-yl]-5-pentyl-benzene-1,3-diol hydrochloride CAS Name: 2-[(2Z)-2-ethylidene-1-methyl-1-piperidin-1-iumyl]-5-pentylbenzene-1,3-diol hydrochloride IUPAC Name: 2-[(2Z)-2-ethylidene-1-methylpiperidin-1-ium-1-yl]-5-pentylbenzene-1,3-diol hydrochloride Traditional Name: 5-amyl-2-[(2Z)-2-ethylidene-1-methyl-piperidin-1-ium-1-yl]resorcinol hydrochloride Formula: C19H31ClNO2+ MolecularWeight: 340.90794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCC1=CC(=C(C(=C1)O)[N+]\2(CCCC/C2=C/C)C)O.Cl

InChI

InChI=1S/C19H29NO2.ClH/c1-4-6-7-10-15-13-17(21)19(18(22)14-15)20(3)12-9-8-11-16(20)5-2;/h5,13-14H,4,6-12H2,1-3H3,(H-,21,22);1H/p+1/b16-5-;