N-(3-morpholin-4-ium-4-ylpropyl)-4-(pyridin-3-ylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-(pyridin-3-ylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-(3-pyridylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-4-(3-pyridinylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-(pyridin-3-ylmethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-(3-pyridylmethyl)piperazin-4-ium-1-carbothioamide Formula: C18H31N5OS+2 MolecularWeight: 365.53664

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CN=CC=C2)C(=S)NCCC[NH+]3CCOCC3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CN=CC=C2)C(=S)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C18H29N5OS/c25-18(20-5-2-6-21-11-13-24-14-12-21)23-9-7-22(8-10-23)16-17-3-1-4-19-15-17/h1,3-4,15H,2,5-14,16H2,(H,20,25)/p+2