N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-2-[(4,5,6-trimethyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-[(4,5,6-trimethylpyrimidin-2-yl)thio]acetamide Formula: C20H27N4OS+ MolecularWeight: 371.51958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1C)SCC(=O)NC2CC[NH+](C2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N=C(N=C1C)SCC(=O)N[C@H]2CC[NH+](C2)CC3=CC=CC=C3)C

InChI

InChI=1S/C20H26N4OS/c1-14-15(2)21-20(22-16(14)3)26-13-19(25)23-18-9-10-24(12-18)11-17-7-5-4-6-8-17/h4-8,18H,9-13H2,1-3H3,(H,23,25)/p+1/t18-/m0/s1