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

Systemtic Name: 1-(2-chloranylpyridin-3-yl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-(2-chloro-3-pyridyl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 1-(2-chloro-3-pyridinyl)-3-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-(2-chloropyridin-3-yl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-(2-chloro-3-pyridyl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C12H18ClN4OS+ MolecularWeight: 301.81552

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=S)NC2=C(N=CC=C2)Cl

Isomeric SMILES

C1COCC[NH+]1CCNC(=S)NC2=C(N=CC=C2)Cl

InChI

InChI=1S/C12H17ClN4OS/c13-11-10(2-1-3-14-11)16-12(19)15-4-5-17-6-8-18-9-7-17/h1-3H,4-9H2,(H2,15,16,19)/p+1