N-(2-morpholin-4-ium-4-ylethyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide

Systemtic Name: N-(2-morpholin-4-ium-4-ylethyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Openeye Name: N-(2-morpholin-4-ium-4-ylethyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide CAS Name: N-[2-(4-morpholin-4-iumyl)ethyl]-4-(4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: N-(2-morpholin-4-ium-4-ylethyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: N-(2-morpholin-4-ium-4-ylethyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Formula: C17H26N5O3S+ MolecularWeight: 380.48504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N5O3S/c23-22(24)16-3-1-15(2-4-16)20-7-9-21(10-8-20)17(26)18-5-6-19-11-13-25-14-12-19/h1-4H,5-14H2,(H,18,26)/p+1