N-(4-morpholin-4-ylsulfonylphenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-(4-morpholin-4-ylsulfonylphenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Openeye Name: N-(4-morpholinosulfonylphenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide CAS Name: N-[4-(4-morpholinylsulfonyl)phenyl]-4-(2-pyridin-1-iumyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-morpholin-4-ylsulfonylphenyl)-4-pyridin-1-ium-2-ylpiperazine-1-carbothioamide Traditional Name: N-(4-morpholinosulfonylphenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Formula: C20H26N5O3S2+ MolecularWeight: 448.58214

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C20H25N5O3S2/c26-30(27,25-13-15-28-16-14-25)18-6-4-17(5-7-18)22-20(29)24-11-9-23(10-12-24)19-3-1-2-8-21-19/h1-8H,9-16H2,(H,22,29)/p+1