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

Systemtic Name: 1-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C21H32N5OS+ MolecularWeight: 402.57668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=S)NCCC[NH+]3CCOCC3

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=S)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C21H31N5OS/c1-17-20(18(2)26(24-17)16-19-7-4-3-5-8-19)15-23-21(28)22-9-6-10-25-11-13-27-14-12-25/h3-5,7-8H,6,9-16H2,1-2H3,(H2,22,23,28)/p+1