1-(3-morpholin-4-ium-4-ylpropyl)-3-(1H-pyrrol-2-ylcarbonylamino)thiourea

Systemtic Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-(1H-pyrrol-2-ylcarbonylamino)thiourea Openeye Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-(1H-pyrrole-2-carbonylamino)thiourea CAS Name: 1-[3-(4-morpholin-4-iumyl)propyl]-3-[[oxo(1H-pyrrol-2-yl)methyl]amino]thiourea IUPAC Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-(1H-pyrrole-2-carbonylamino)thiourea Traditional Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-(1H-pyrrole-2-carbonylamino)thiourea Formula: C13H22N5O2S+ MolecularWeight: 312.41108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=S)NNC(=O)C2=CC=CN2

Isomeric SMILES

C1COCC[NH+]1CCCNC(=S)NNC(=O)C2=CC=CN2

InChI

InChI=1S/C13H21N5O2S/c19-12(11-3-1-4-14-11)16-17-13(21)15-5-2-6-18-7-9-20-10-8-18/h1,3-4,14H,2,5-10H2,(H,16,19)(H2,15,17,21)/p+1