3-(2,6-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(3-piperidin-1-ium-1-ylpropyl)thiourea

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=S)N(CCC[NH+]2CCCCC2)CC3=CC=CO3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)N(CCC[NH+]2CCCCC2)CC3=CC=CO3

InChI

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