5-chloranyl-2-ethylsulfanyl-N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-ethylsulfanyl-N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-ethylsulfanyl-N-[(2S)-2-piperidin-1-ium-1-yl-2-(2-thienyl)ethyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(ethylthio)-N-[(2S)-2-(1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-ethylsulfanyl-N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-ylethyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-(ethylthio)-N-[(2S)-2-piperidin-1-ium-1-yl-2-(2-thienyl)ethyl]pyrimidine-4-carboxamide Formula: C18H24ClN4OS2+ MolecularWeight: 411.99236

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C(C(=N1)C(=O)NCC(C2=CC=CS2)[NH+]3CCCCC3)Cl

Isomeric SMILES

CCSC1=NC=C(C(=N1)C(=O)NC[C@@H](C2=CC=CS2)[NH+]3CCCCC3)Cl

InChI

InChI=1S/C18H23ClN4OS2/c1-2-25-18-21-11-13(19)16(22-18)17(24)20-12-14(15-7-6-10-26-15)23-8-4-3-5-9-23/h6-7,10-11,14H,2-5,8-9,12H2,1H3,(H,20,24)/p+1/t14-/m0/s1