(6-butyl-2-methyl-4-oxidanylidene-1H-quinolin-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium

Systemtic Name: (6-butyl-2-methyl-4-oxidanylidene-1H-quinolin-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Openeye Name: (6-butyl-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: (6-butyl-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-methyl-(1-methyl-4-piperidin-1-iumyl)ammonium IUPAC Name: (6-butyl-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Traditional Name: (6-butyl-4-keto-2-methyl-1H-quinolin-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C22H35N3O+2 MolecularWeight: 357.5328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)NC(=C(C2=O)C[NH+](C)C3CC[NH+](CC3)C)C

Isomeric SMILES

CCCCC1=CC2=C(C=C1)NC(=C(C2=O)C[NH+](C)C3CC[NH+](CC3)C)C

InChI

InChI=1S/C22H33N3O/c1-5-6-7-17-8-9-21-19(14-17)22(26)20(16(2)23-21)15-25(4)18-10-12-24(3)13-11-18/h8-9,14,18H,5-7,10-13,15H2,1-4H3,(H,23,26)/p+2