2-methyl-3-[(3-methylpiperidin-1-ium-1-yl)methyl]-6-propoxy-quinolin-1-ium-4-ol

Systemtic Name: 2-methyl-3-[(3-methylpiperidin-1-ium-1-yl)methyl]-6-propoxy-quinolin-1-ium-4-ol Openeye Name: 2-methyl-3-[(3-methylpiperidin-1-ium-1-yl)methyl]-6-propoxy-quinolin-1-ium-4-ol CAS Name: 2-methyl-3-[(3-methyl-1-piperidin-1-iumyl)methyl]-6-propoxy-4-quinolin-1-iumol IUPAC Name: 2-methyl-3-[(3-methylpiperidin-1-ium-1-yl)methyl]-6-propoxyquinolin-1-ium-4-ol Traditional Name: 2-methyl-3-[(3-methylpiperidin-1-ium-1-yl)methyl]-6-propoxy-quinolin-1-ium-4-ol Formula: C20H30N2O2+2 MolecularWeight: 330.4644

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=C1)[NH+]=C(C(=C2O)C[NH+]3CCCC(C3)C)C

Isomeric SMILES

CCCOC1=CC2=C(C=C1)[NH+]=C(C(=C2O)C[NH+]3CCCC(C3)C)C

InChI

InChI=1S/C20H28N2O2/c1-4-10-24-16-7-8-19-17(11-16)20(23)18(15(3)21-19)13-22-9-5-6-14(2)12-22/h7-8,11,14H,4-6,9-10,12-13H2,1-3H3,(H,21,23)/p+2