1-(3-morpholin-4-ium-4-ylpropyl)-3-(pyridin-4-ylcarbonylamino)thiourea

Systemtic Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-(pyridin-4-ylcarbonylamino)thiourea Openeye Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-(pyridine-4-carbonylamino)thiourea CAS Name: 1-[3-(4-morpholin-4-iumyl)propyl]-3-[[oxo(pyridin-4-yl)methyl]amino]thiourea IUPAC Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-(pyridine-4-carbonylamino)thiourea Traditional Name: 1-isonicotinamido-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C14H22N5O2S+ MolecularWeight: 324.42178

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=S)NNC(=O)C2=CC=NC=C2

Isomeric SMILES

C1COCC[NH+]1CCCNC(=S)NNC(=O)C2=CC=NC=C2

InChI

InChI=1S/C14H21N5O2S/c20-13(12-2-5-15-6-3-12)17-18-14(22)16-4-1-7-19-8-10-21-11-9-19/h2-3,5-6H,1,4,7-11H2,(H,17,20)(H2,16,18,22)/p+1