(2S,4R)-N-(1-benzothiophen-2-ylmethyl)-N-methyl-1-(1-methylpiperidin-1-ium-4-yl)-4-pyrimidin-2-ylsulfanyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S,4R)-N-(1-benzothiophen-2-ylmethyl)-N-methyl-1-(1-methylpiperidin-1-ium-4-yl)-4-pyrimidin-2-ylsulfanyl-pyrrolidine-2-carboxamide Openeye Name: (2S,4R)-N-(benzothiophen-2-ylmethyl)-N-methyl-1-(1-methylpiperidin-1-ium-4-yl)-4-pyrimidin-2-ylsulfanyl-pyrrolidine-2-carboxamide CAS Name: (2S,4R)-N-(1-benzothiophen-2-ylmethyl)-N-methyl-1-(1-methyl-4-piperidin-1-iumyl)-4-(2-pyrimidinylthio)-2-pyrrolidinecarboxamide IUPAC Name: (2S,4R)-N-(1-benzothiophen-2-ylmethyl)-N-methyl-1-(1-methylpiperidin-1-ium-4-yl)-4-pyrimidin-2-ylsulfanylpyrrolidine-2-carboxamide Traditional Name: (2S,4R)-N-(benzothiophen-2-ylmethyl)-N-methyl-1-(1-methylpiperidin-1-ium-4-yl)-4-(2-pyrimidylthio)pyrrolidine-2-carboxamide Formula: C25H32N5OS2+ MolecularWeight: 482.68448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N2CC(CC2C(=O)N(C)CC3=CC4=CC=CC=C4S3)SC5=NC=CC=N5

Isomeric SMILES

C[NH+]1CCC(CC1)N2C[C@@H](C[C@H]2C(=O)N(C)CC3=CC4=CC=CC=C4S3)SC5=NC=CC=N5

InChI

InChI=1S/C25H31N5OS2/c1-28-12-8-19(9-13-28)30-17-21(33-25-26-10-5-11-27-25)15-22(30)24(31)29(2)16-20-14-18-6-3-4-7-23(18)32-20/h3-7,10-11,14,19,21-22H,8-9,12-13,15-17H2,1-2H3/p+1/t21-,22+/m1/s1