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

Systemtic Name: (6-ethoxycarbonyl-2-methyl-4-oxidanylidene-1H-quinolin-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Openeye Name: (6-ethoxycarbonyl-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: (6-ethoxycarbonyl-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-methyl-(1-methyl-4-piperidin-1-iumyl)ammonium IUPAC Name: (6-ethoxycarbonyl-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Traditional Name: (6-carbethoxy-4-keto-2-methyl-1H-quinolin-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C21H31N3O3+2 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O3/c1-5-27-21(26)15-6-7-19-17(12-15)20(25)18(14(2)22-19)13-24(4)16-8-10-23(3)11-9-16/h6-7,12,16H,5,8-11,13H2,1-4H3,(H,22,25)/p+2