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

Systemtic Name: N-(2-morpholin-4-ium-4-ylethyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Openeye Name: N-(2-morpholin-4-ium-4-ylethyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide CAS Name: N-[2-(4-morpholin-4-iumyl)ethyl]-4-(2-pyridin-1-iumyl)-1-piperazinecarbothioamide IUPAC Name: N-(2-morpholin-4-ium-4-ylethyl)-4-pyridin-1-ium-2-ylpiperazine-1-carbothioamide Traditional Name: N-(2-morpholin-4-ium-4-ylethyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Formula: C16H27N5OS+2 MolecularWeight: 337.48348

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=S)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C1COCC[NH+]1CCNC(=S)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C16H25N5OS/c23-16(18-5-6-19-11-13-22-14-12-19)21-9-7-20(8-10-21)15-3-1-2-4-17-15/h1-4H,5-14H2,(H,18,23)/p+2