[(3R,4R,5S)-1-methyl-4-(4-methylphenyl)carbonyl-5-thiophen-2-yl-pyrrolidin-1-ium-3-yl]-(4-methylphenyl)methanone

Systemtic Name: [(3R,4R,5S)-1-methyl-4-(4-methylphenyl)carbonyl-5-thiophen-2-yl-pyrrolidin-1-ium-3-yl]-(4-methylphenyl)methanone Openeye Name: [(3R,4R,5S)-1-methyl-4-(4-methylbenzoyl)-5-(2-thienyl)pyrrolidin-1-ium-3-yl]-(p-tolyl)methanone CAS Name: [(3R,4R,5S)-1-methyl-4-[(4-methylphenyl)-oxomethyl]-5-thiophen-2-yl-3-pyrrolidin-1-iumyl]-(4-methylphenyl)methanone IUPAC Name: [(3R,4R,5S)-1-methyl-4-(4-methylbenzoyl)-5-thiophen-2-ylpyrrolidin-1-ium-3-yl]-(4-methylphenyl)methanone Traditional Name: [(3R,4R,5S)-1-methyl-4-p-toluoyl-5-(2-thienyl)pyrrolidin-1-ium-3-yl]-(p-tolyl)methanone Formula: C25H26NO2S+ MolecularWeight: 404.54444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2C[NH+](C(C2C(=O)C3=CC=C(C=C3)C)C4=CC=CS4)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@H]2C[NH+]([C@@H]([C@@H]2C(=O)C3=CC=C(C=C3)C)C4=CC=CS4)C

InChI

InChI=1S/C25H25NO2S/c1-16-6-10-18(11-7-16)24(27)20-15-26(3)23(21-5-4-14-29-21)22(20)25(28)19-12-8-17(2)9-13-19/h4-14,20,22-23H,15H2,1-3H3/p+1/t20-,22+,23+/m0/s1