3-(3,5-dimethylphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 3-(3,5-dimethylphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 3-(3,5-dimethylphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-1-(3-pyridylmethyl)thiourea CAS Name: 3-(3,5-dimethylphenyl)-1-[2-(4-morpholin-4-iumyl)ethyl]-1-(3-pyridinylmethyl)thiourea IUPAC Name: 3-(3,5-dimethylphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-(3,5-dimethylphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-1-(3-pyridylmethyl)thiourea Formula: C21H29N4OS+ MolecularWeight: 385.54616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)N(CC[NH+]2CCOCC2)CC3=CN=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)N(CC[NH+]2CCOCC2)CC3=CN=CC=C3)C

InChI

InChI=1S/C21H28N4OS/c1-17-12-18(2)14-20(13-17)23-21(27)25(16-19-4-3-5-22-15-19)7-6-24-8-10-26-11-9-24/h3-5,12-15H,6-11,16H2,1-2H3,(H,23,27)/p+1