4-(2-hydroxyethyl)-N-(4-nitrophenyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-(2-hydroxyethyl)-N-(4-nitrophenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-(2-hydroxyethyl)-N-(4-nitrophenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-(2-hydroxyethyl)-N-(4-nitrophenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-(2-hydroxyethyl)-N-(4-nitrophenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-(2-hydroxyethyl)-N-(4-nitrophenyl)piperazin-4-ium-1-carbothioamide Formula: C13H19N4O3S+ MolecularWeight: 311.37996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O3S/c18-10-9-15-5-7-16(8-6-15)13(21)14-11-1-3-12(4-2-11)17(19)20/h1-4,18H,5-10H2,(H,14,21)/p+1