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

Systemtic Name: methyl-[(2-methyl-4-oxidanylidene-6-propoxy-1H-quinolin-3-yl)methyl]-(1-methylpiperidin-1-ium-4-yl)azanium Openeye Name: methyl-[(2-methyl-4-oxo-6-propoxy-1H-quinolin-3-yl)methyl]-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: methyl-[(2-methyl-4-oxo-6-propoxy-1H-quinolin-3-yl)methyl]-(1-methyl-4-piperidin-1-iumyl)ammonium IUPAC Name: methyl-[(2-methyl-4-oxo-6-propoxy-1H-quinolin-3-yl)methyl]-(1-methylpiperidin-1-ium-4-yl)azanium Traditional Name: (4-keto-2-methyl-6-propoxy-1H-quinolin-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C21H33N3O2+2 MolecularWeight: 359.50562

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=C1)NC(=C(C2=O)C[NH+](C)C3CC[NH+](CC3)C)C

Isomeric SMILES

CCCOC1=CC2=C(C=C1)NC(=C(C2=O)C[NH+](C)C3CC[NH+](CC3)C)C

InChI

InChI=1S/C21H31N3O2/c1-5-12-26-17-6-7-20-18(13-17)21(25)19(15(2)22-20)14-24(4)16-8-10-23(3)11-9-16/h6-7,13,16H,5,8-12,14H2,1-4H3,(H,22,25)/p+2