[(2S,4R)-1-(2-adamantyl)-4-(4-methoxyphenyl)sulfanyl-pyrrolidin-1-ium-2-yl]-morpholin-4-yl-methanone

Systemtic Name: [(2S,4R)-1-(2-adamantyl)-4-(4-methoxyphenyl)sulfanyl-pyrrolidin-1-ium-2-yl]-morpholin-4-yl-methanone Openeye Name: [(2S,4R)-1-(2-adamantyl)-4-(4-methoxyphenyl)sulfanyl-pyrrolidin-1-ium-2-yl]-morpholino-methanone CAS Name: [(2S,4R)-1-(2-adamantyl)-4-[(4-methoxyphenyl)thio]-2-pyrrolidin-1-iumyl]-(4-morpholinyl)methanone IUPAC Name: [(2S,4R)-1-(2-adamantyl)-4-(4-methoxyphenyl)sulfanylpyrrolidin-1-ium-2-yl]-morpholin-4-ylmethanone Traditional Name: [(2S,4R)-1-(2-adamantyl)-4-[(4-methoxyphenyl)thio]pyrrolidin-1-ium-2-yl]-morpholino-methanone Formula: C26H37N2O3S+ MolecularWeight: 457.64858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SC2CC([NH+](C2)C3C4CC5CC(C4)CC3C5)C(=O)N6CCOCC6

Isomeric SMILES

COC1=CC=C(C=C1)S[C@@H]2C[C@H]([NH+](C2)C3C4CC5CC(C4)CC3C5)C(=O)N6CCOCC6

InChI

InChI=1S/C26H36N2O3S/c1-30-21-2-4-22(5-3-21)32-23-15-24(26(29)27-6-8-31-9-7-27)28(16-23)25-19-11-17-10-18(13-19)14-20(25)12-17/h2-5,17-20,23-25H,6-16H2,1H3/p+1/t17?,18?,19?,20?,23-,24+,25?/m1/s1