[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-(4-nitrophenyl)methanethione

Systemtic Name: [4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-(4-nitrophenyl)methanethione Openeye Name: [4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-(4-nitrophenyl)methanethione CAS Name: [4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-(4-nitrophenyl)methanethione IUPAC Name: [4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-(4-nitrophenyl)methanethione Traditional Name: [4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-(4-nitrophenyl)methanethione Formula: C13H18N3O3S+ MolecularWeight: 296.36532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O3S/c17-10-9-14-5-7-15(8-6-14)13(20)11-1-3-12(4-2-11)16(18)19/h1-4,17H,5-10H2/p+1