N-(2-chloranyl-5-nitro-phenyl)-4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(2-chloro-5-nitrophenyl)-4-(2-hydroxyethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioamide Formula: C13H18ClN4O3S+ MolecularWeight: 345.82502

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CC[NH+]1CCO)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H17ClN4O3S/c14-11-2-1-10(18(20)21)9-12(11)15-13(22)17-5-3-16(4-6-17)7-8-19/h1-2,9,19H,3-8H2,(H,15,22)/p+1