1-(2-cyanoethyl)-3-(2-morpholin-4-ium-4-ylethyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-(2-cyanoethyl)-3-(2-morpholin-4-ium-4-ylethyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-(2-cyanoethyl)-3-(2-morpholin-4-ium-4-ylethyl)-1-(3-pyridylmethyl)thiourea CAS Name: 1-(2-cyanoethyl)-3-[2-(4-morpholin-4-iumyl)ethyl]-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-(2-cyanoethyl)-3-(2-morpholin-4-ium-4-ylethyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-(2-cyanoethyl)-3-(2-morpholin-4-ium-4-ylethyl)-1-(3-pyridylmethyl)thiourea Formula: C16H24N5OS+ MolecularWeight: 334.45966

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=S)N(CCC#N)CC2=CN=CC=C2

Isomeric SMILES

C1COCC[NH+]1CCNC(=S)N(CCC#N)CC2=CN=CC=C2

InChI

InChI=1S/C16H23N5OS/c17-4-2-7-21(14-15-3-1-5-18-13-15)16(23)19-6-8-20-9-11-22-12-10-20/h1,3,5,13H,2,6-12,14H2,(H,19,23)/p+1