4-(4-chloranyl-2-nitro-phenyl)-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(4-chloranyl-2-nitro-phenyl)-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carbothioamide Openeye Name: 4-(4-chloro-2-nitro-phenyl)-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carbothioamide CAS Name: 4-(4-chloro-2-nitrophenyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-1-piperazinecarbothioamide IUPAC Name: 4-(4-chloro-2-nitrophenyl)-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carbothioamide Traditional Name: 4-(4-chloro-2-nitro-phenyl)-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carbothioamide Formula: C17H25ClN5O3S+ MolecularWeight: 414.9301

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=S)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCNC(=S)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H24ClN5O3S/c18-14-1-2-15(16(13-14)23(24)25)21-5-7-22(8-6-21)17(27)19-3-4-20-9-11-26-12-10-20/h1-2,13H,3-12H2,(H,19,27)/p+1