1-(furan-2-ylmethyl)-1-(3-pyrrolidin-1-ium-1-ylpropyl)-3-(2,4,6-trimethylphenyl)thiourea

Systemtic Name: 1-(furan-2-ylmethyl)-1-(3-pyrrolidin-1-ium-1-ylpropyl)-3-(2,4,6-trimethylphenyl)thiourea Openeye Name: 1-(2-furylmethyl)-1-(3-pyrrolidin-1-ium-1-ylpropyl)-3-(2,4,6-trimethylphenyl)thiourea CAS Name: 1-(2-furanylmethyl)-1-[3-(1-pyrrolidin-1-iumyl)propyl]-3-(2,4,6-trimethylphenyl)thiourea IUPAC Name: 1-(furan-2-ylmethyl)-1-(3-pyrrolidin-1-ium-1-ylpropyl)-3-(2,4,6-trimethylphenyl)thiourea Traditional Name: 1-(2-furfuryl)-3-mesityl-1-(3-pyrrolidin-1-ium-1-ylpropyl)thiourea Formula: C22H32N3OS+ MolecularWeight: 386.57398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=S)N(CCC[NH+]2CCCC2)CC3=CC=CO3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=S)N(CCC[NH+]2CCCC2)CC3=CC=CO3)C

InChI

InChI=1S/C22H31N3OS/c1-17-14-18(2)21(19(3)15-17)23-22(27)25(16-20-8-6-13-26-20)12-7-11-24-9-4-5-10-24/h6,8,13-15H,4-5,7,9-12,16H2,1-3H3,(H,23,27)/p+1