5-chloranyl-2-ethylsulfanyl-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-ethylsulfanyl-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-ethylsulfanyl-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(ethylthio)-N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-ethylsulfanyl-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-(ethylthio)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]pyrimidine-4-carboxamide Formula: C20H26ClN4O2S+ MolecularWeight: 421.96404

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C(C(=N1)C(=O)NCC(C2=CC=C(C=C2)OC)[NH+]3CCCC3)Cl

Isomeric SMILES

CCSC1=NC=C(C(=N1)C(=O)NC[C@@H](C2=CC=C(C=C2)OC)[NH+]3CCCC3)Cl

InChI

InChI=1S/C20H25ClN4O2S/c1-3-28-20-23-12-16(21)18(24-20)19(26)22-13-17(25-10-4-5-11-25)14-6-8-15(27-2)9-7-14/h6-9,12,17H,3-5,10-11,13H2,1-2H3,(H,22,26)/p+1/t17-/m0/s1