(3-ethoxycarbonyl-4-phenyl-quinolin-2-yl)methyl-methyl-(thiophen-2-ylmethyl)azanium

Systemtic Name: (3-ethoxycarbonyl-4-phenyl-quinolin-2-yl)methyl-methyl-(thiophen-2-ylmethyl)azanium Openeye Name: (3-ethoxycarbonyl-4-phenyl-2-quinolyl)methyl-methyl-(2-thienylmethyl)ammonium CAS Name: (3-ethoxycarbonyl-4-phenyl-2-quinolinyl)methyl-methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: (3-ethoxycarbonyl-4-phenylquinolin-2-yl)methyl-methyl-(thiophen-2-ylmethyl)azanium Traditional Name: (3-carbethoxy-4-phenyl-2-quinolyl)methyl-methyl-(2-thenyl)ammonium Formula: C25H25N2O2S+ MolecularWeight: 417.5432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1C[NH+](C)CC3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1C[NH+](C)CC3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C25H24N2O2S/c1-3-29-25(28)24-22(17-27(2)16-19-12-9-15-30-19)26-21-14-8-7-13-20(21)23(24)18-10-5-4-6-11-18/h4-15H,3,16-17H2,1-2H3/p+1