(2-ethoxycarbonyl-4-oxidanylidene-1H-quinolin-3-yl)methyl-methyl-(2-pyridin-4-ylethyl)azanium

Systemtic Name: (2-ethoxycarbonyl-4-oxidanylidene-1H-quinolin-3-yl)methyl-methyl-(2-pyridin-4-ylethyl)azanium Openeye Name: (2-ethoxycarbonyl-4-oxo-1H-quinolin-3-yl)methyl-methyl-[2-(4-pyridyl)ethyl]ammonium CAS Name: (2-ethoxycarbonyl-4-oxo-1H-quinolin-3-yl)methyl-methyl-(2-pyridin-4-ylethyl)ammonium IUPAC Name: (2-ethoxycarbonyl-4-oxo-1H-quinolin-3-yl)methyl-methyl-(2-pyridin-4-ylethyl)azanium Traditional Name: (2-carbethoxy-4-keto-1H-quinolin-3-yl)methyl-methyl-[2-(4-pyridyl)ethyl]ammonium Formula: C21H24N3O3+ MolecularWeight: 366.43356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)C2=CC=CC=C2N1)C[NH+](C)CCC3=CC=NC=C3

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=CC=CC=C2N1)C[NH+](C)CCC3=CC=NC=C3

InChI

InChI=1S/C21H23N3O3/c1-3-27-21(26)19-17(20(25)16-6-4-5-7-18(16)23-19)14-24(2)13-10-15-8-11-22-12-9-15/h4-9,11-12H,3,10,13-14H2,1-2H3,(H,23,25)/p+1