(3-ethoxycarbonyl-4-methyl-quinolin-2-yl)methyl-[(R)-phenyl(thiophen-2-yl)methyl]azanium

Systemtic Name: (3-ethoxycarbonyl-4-methyl-quinolin-2-yl)methyl-[(R)-phenyl(thiophen-2-yl)methyl]azanium Openeye Name: (3-ethoxycarbonyl-4-methyl-2-quinolyl)methyl-[(R)-phenyl(2-thienyl)methyl]ammonium CAS Name: (3-ethoxycarbonyl-4-methyl-2-quinolinyl)methyl-[(R)-phenyl(thiophen-2-yl)methyl]ammonium IUPAC Name: (3-ethoxycarbonyl-4-methylquinolin-2-yl)methyl-[(R)-phenyl(thiophen-2-yl)methyl]azanium Traditional Name: (3-carbethoxy-4-methyl-2-quinolyl)methyl-[(R)-phenyl(2-thienyl)methyl]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[NH2+]C(C3=CC=CC=C3)C4=CC=CS4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1C[NH2+][C@H](C3=CC=CC=C3)C4=CC=CS4)C

InChI

InChI=1S/C25H24N2O2S/c1-3-29-25(28)23-17(2)19-12-7-8-13-20(19)27-21(23)16-26-24(22-14-9-15-30-22)18-10-5-4-6-11-18/h4-15,24,26H,3,16H2,1-2H3/p+1/t24-/m1/s1