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

Systemtic Name: 2-[(2Z)-2-ethylidene-1-methyl-piperidin-1-ium-1-yl]-5-pentyl-benzene-1,3-diol Openeye Name: 2-[(2Z)-2-ethylidene-1-methyl-piperidin-1-ium-1-yl]-5-pentyl-benzene-1,3-diol CAS Name: 2-[(2Z)-2-ethylidene-1-methyl-1-piperidin-1-iumyl]-5-pentylbenzene-1,3-diol IUPAC Name: 2-[(2Z)-2-ethylidene-1-methylpiperidin-1-ium-1-yl]-5-pentylbenzene-1,3-diol Traditional Name: 5-amyl-2-[(2Z)-2-ethylidene-1-methyl-piperidin-1-ium-1-yl]resorcinol Formula: C19H30NO2+ MolecularWeight: 304.447

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29NO2/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)/p+1/b16-5-