ethyl-[(3-methoxycarbonyl-4-methyl-quinolin-2-yl)methyl]-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]azanium

Systemtic Name: ethyl-[(3-methoxycarbonyl-4-methyl-quinolin-2-yl)methyl]-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]azanium Openeye Name: ethyl-[(3-methoxycarbonyl-4-methyl-2-quinolyl)methyl]-[2-oxo-2-(2-thienylmethylamino)ethyl]ammonium CAS Name: ethyl-[(3-methoxycarbonyl-4-methyl-2-quinolinyl)methyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]ammonium IUPAC Name: ethyl-[(3-methoxycarbonyl-4-methylquinolin-2-yl)methyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium Traditional Name: (3-carbomethoxy-4-methyl-2-quinolyl)methyl-ethyl-[2-keto-2-(2-thenylamino)ethyl]ammonium Formula: C22H26N3O3S+ MolecularWeight: 412.52514

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=NC2=CC=CC=C2C(=C1C(=O)OC)C)CC(=O)NCC3=CC=CS3

Isomeric SMILES

CC[NH+](CC1=NC2=CC=CC=C2C(=C1C(=O)OC)C)CC(=O)NCC3=CC=CS3

InChI

InChI=1S/C22H25N3O3S/c1-4-25(14-20(26)23-12-16-8-7-11-29-16)13-19-21(22(27)28-3)15(2)17-9-5-6-10-18(17)24-19/h5-11H,4,12-14H2,1-3H3,(H,23,26)/p+1