(6-butoxy-2-methyl-4-oxidanyl-quinolin-1-ium-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium

Systemtic Name: (6-butoxy-2-methyl-4-oxidanyl-quinolin-1-ium-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Openeye Name: (6-butoxy-4-hydroxy-2-methyl-quinolin-1-ium-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: (6-butoxy-4-hydroxy-2-methyl-3-quinolin-1-iumyl)methyl-methyl-(1-methyl-4-piperidin-1-iumyl)ammonium IUPAC Name: (6-butoxy-4-hydroxy-2-methylquinolin-1-ium-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Traditional Name: (6-butoxy-4-hydroxy-2-methyl-quinolin-1-ium-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C22H36N3O2+3 MolecularWeight: 374.54014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)[NH+]=C(C(=C2O)C[NH+](C)C3CC[NH+](CC3)C)C

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)[NH+]=C(C(=C2O)C[NH+](C)C3CC[NH+](CC3)C)C

InChI

InChI=1S/C22H33N3O2/c1-5-6-13-27-18-7-8-21-19(14-18)22(26)20(16(2)23-21)15-25(4)17-9-11-24(3)12-10-17/h7-8,14,17H,5-6,9-13,15H2,1-4H3,(H,23,26)/p+3