(3-methoxycarbonyl-4-methyl-quinolin-2-yl)methyl-[(R)-(4-methylphenyl)-thiophen-2-yl-methyl]azanium

Systemtic Name: (3-methoxycarbonyl-4-methyl-quinolin-2-yl)methyl-[(R)-(4-methylphenyl)-thiophen-2-yl-methyl]azanium Openeye Name: (3-methoxycarbonyl-4-methyl-2-quinolyl)methyl-[(R)-p-tolyl(2-thienyl)methyl]ammonium CAS Name: (3-methoxycarbonyl-4-methyl-2-quinolinyl)methyl-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]ammonium IUPAC Name: (3-methoxycarbonyl-4-methylquinolin-2-yl)methyl-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium Traditional Name: (3-carbomethoxy-4-methyl-2-quinolyl)methyl-[(R)-p-tolyl(2-thienyl)methyl]ammonium Formula: C25H25N2O2S+ MolecularWeight: 417.5432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CS2)[NH2+]CC3=NC4=CC=CC=C4C(=C3C(=O)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C2=CC=CS2)[NH2+]CC3=NC4=CC=CC=C4C(=C3C(=O)OC)C

InChI

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