N-(3-morpholin-4-ium-4-ylpropyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-4-(2-pyridin-1-iumyl)-1-piperazinecarbothioamide IUPAC Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-pyridin-1-ium-2-ylpiperazine-1-carbothioamide Traditional Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Formula: C17H29N5OS+2 MolecularWeight: 351.51006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N5OS/c24-17(19-6-3-7-20-12-14-23-15-13-20)22-10-8-21(9-11-22)16-4-1-2-5-18-16/h1-2,4-5H,3,6-15H2,(H,19,24)/p+2