1-isoquinolin-5-yl-3-(2-morpholin-4-ium-4-ylethyl)thiourea

Systemtic Name: 1-isoquinolin-5-yl-3-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-(5-isoquinolyl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 1-(5-isoquinolinyl)-3-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-isoquinolin-5-yl-3-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-(5-isoquinolyl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C16H21N4OS+ MolecularWeight: 317.42914

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=S)NC2=CC=CC3=C2C=CN=C3

Isomeric SMILES

C1COCC[NH+]1CCNC(=S)NC2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C16H20N4OS/c22-16(18-6-7-20-8-10-21-11-9-20)19-15-3-1-2-13-12-17-5-4-14(13)15/h1-5,12H,6-11H2,(H2,18,19,22)/p+1