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

Systemtic Name: (2-ethoxycarbonyl-4-oxidanylidene-1H-quinolin-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Openeye Name: (2-ethoxycarbonyl-4-oxo-1H-quinolin-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: (2-ethoxycarbonyl-4-oxo-1H-quinolin-3-yl)methyl-methyl-(1-methyl-4-piperidin-1-iumyl)ammonium IUPAC Name: (2-ethoxycarbonyl-4-oxo-1H-quinolin-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Traditional Name: (2-carbethoxy-4-keto-1H-quinolin-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C20H29N3O3+2 MolecularWeight: 359.46256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)C2=CC=CC=C2N1)C[NH+](C)C3CC[NH+](CC3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=CC=CC=C2N1)C[NH+](C)C3CC[NH+](CC3)C

InChI

InChI=1S/C20H27N3O3/c1-4-26-20(25)18-16(13-23(3)14-9-11-22(2)12-10-14)19(24)15-7-5-6-8-17(15)21-18/h5-8,14H,4,9-13H2,1-3H3,(H,21,24)/p+2