(3-ethoxycarbonyl-4-methyl-quinolin-2-yl)methyl-methyl-(2-morpholin-4-yl-2-oxidanylidene-ethyl)azanium

Systemtic Name: (3-ethoxycarbonyl-4-methyl-quinolin-2-yl)methyl-methyl-(2-morpholin-4-yl-2-oxidanylidene-ethyl)azanium Openeye Name: (3-ethoxycarbonyl-4-methyl-2-quinolyl)methyl-methyl-(2-morpholino-2-oxo-ethyl)ammonium CAS Name: (3-ethoxycarbonyl-4-methyl-2-quinolinyl)methyl-methyl-[2-(4-morpholinyl)-2-oxoethyl]ammonium IUPAC Name: (3-ethoxycarbonyl-4-methylquinolin-2-yl)methyl-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium Traditional Name: (3-carbethoxy-4-methyl-2-quinolyl)methyl-(2-keto-2-morpholino-ethyl)-methyl-ammonium Formula: C21H28N3O4+ MolecularWeight: 386.46472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1C[NH+](C)CC(=O)N3CCOCC3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1C[NH+](C)CC(=O)N3CCOCC3)C

InChI

InChI=1S/C21H27N3O4/c1-4-28-21(26)20-15(2)16-7-5-6-8-17(16)22-18(20)13-23(3)14-19(25)24-9-11-27-12-10-24/h5-8H,4,9-14H2,1-3H3/p+1