(2S,4R)-N-(1-benzothiophen-2-ylmethyl)-N-methyl-4-(4-methylpyrimidin-2-yl)sulfanyl-1-(thiophen-3-ylmethyl)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4R)-N-(1-benzothiophen-2-ylmethyl)-N-methyl-4-(4-methylpyrimidin-2-yl)sulfanyl-1-(thiophen-3-ylmethyl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-N-(benzothiophen-2-ylmethyl)-N-methyl-4-(4-methylpyrimidin-2-yl)sulfanyl-1-(3-thienylmethyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-N-(1-benzothiophen-2-ylmethyl)-N-methyl-4-[(4-methyl-2-pyrimidinyl)thio]-1-(3-thiophenylmethyl)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-N-(1-benzothiophen-2-ylmethyl)-N-methyl-4-(4-methylpyrimidin-2-yl)sulfanyl-1-(thiophen-3-ylmethyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-N-(benzothiophen-2-ylmethyl)-N-methyl-4-[(4-methylpyrimidin-2-yl)thio]-1-(3-thenyl)pyrrolidin-1-ium-2-carboxamide Formula: C25H27N4OS3+ MolecularWeight: 495.70308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SC2CC([NH+](C2)CC3=CSC=C3)C(=O)N(C)CC4=CC5=CC=CC=C5S4

Isomeric SMILES

CC1=NC(=NC=C1)S[C@@H]2C[C@H]([NH+](C2)CC3=CSC=C3)C(=O)N(C)CC4=CC5=CC=CC=C5S4

InChI

InChI=1S/C25H26N4OS3/c1-17-7-9-26-25(27-17)33-21-12-22(29(15-21)13-18-8-10-31-16-18)24(30)28(2)14-20-11-19-5-3-4-6-23(19)32-20/h3-11,16,21-22H,12-15H2,1-2H3/p+1/t21-,22+/m1/s1