1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C20H30N5OS+ MolecularWeight: 388.5501

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=S)NCCC[NH+]3CCOCC3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=S)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C20H29N5OS/c1-16-19(17(2)25(23-16)18-7-4-3-5-8-18)15-22-20(27)21-9-6-10-24-11-13-26-14-12-24/h3-5,7-8H,6,9-15H2,1-2H3,(H2,21,22,27)/p+1