N-(3-morpholin-4-ium-4-ylpropyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-4-(4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Formula: C18H28N5O3S+ MolecularWeight: 394.51162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N5O3S/c24-23(25)17-4-2-16(3-5-17)21-8-10-22(11-9-21)18(27)19-6-1-7-20-12-14-26-15-13-20/h2-5H,1,6-15H2,(H,19,27)/p+1