N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-chloro-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: N-[(2R)-2-(4-tert-butylphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-5-chloro-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-chloro-2-(methylthio)pyrimidine-4-carboxamide Formula: C22H30ClN4OS+ MolecularWeight: 434.0178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(CNC(=O)C2=NC(=NC=C2Cl)SC)[NH+]3CCCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[C@H](CNC(=O)C2=NC(=NC=C2Cl)SC)[NH+]3CCCC3

InChI

InChI=1S/C22H29ClN4OS/c1-22(2,3)16-9-7-15(8-10-16)18(27-11-5-6-12-27)14-24-20(28)19-17(23)13-25-21(26-19)29-4/h7-10,13,18H,5-6,11-12,14H2,1-4H3,(H,24,28)/p+1/t18-/m0/s1