N-(3-morpholin-4-ium-4-ylpropyl)-4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-carbothioamide CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-4-(2-pyridin-4-ylethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-carbothioamide Formula: C19H33N5OS+2 MolecularWeight: 379.56322

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=NC=C2)C(=S)NCCC[NH+]3CCOCC3

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=NC=C2)C(=S)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C19H31N5OS/c26-19(21-5-1-8-22-14-16-25-17-15-22)24-12-10-23(11-13-24)9-4-18-2-6-20-7-3-18/h2-3,6-7H,1,4-5,8-17H2,(H,21,26)/p+2