1-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea

Systemtic Name: 1-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 1-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-3-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C20H30N5OS+ MolecularWeight: 388.5501

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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