3-(2,6-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)thiourea

Systemtic Name: 3-(2,6-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)thiourea Openeye Name: 3-(2,6-dimethylphenyl)-1-(2-furylmethyl)-1-(1-isopropylpiperidin-1-ium-4-yl)thiourea CAS Name: 3-(2,6-dimethylphenyl)-1-(2-furanylmethyl)-1-(1-propan-2-yl-4-piperidin-1-iumyl)thiourea IUPAC Name: 3-(2,6-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)thiourea Traditional Name: 3-(2,6-dimethylphenyl)-1-(2-furfuryl)-1-(1-isopropylpiperidin-1-ium-4-yl)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(CC2=CC=CO2)C3CC[NH+](CC3)C(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)N(CC2=CC=CO2)C3CC[NH+](CC3)C(C)C

InChI

InChI=1S/C22H31N3OS/c1-16(2)24-12-10-19(11-13-24)25(15-20-9-6-14-26-20)22(27)23-21-17(3)7-5-8-18(21)4/h5-9,14,16,19H,10-13,15H2,1-4H3,(H,23,27)/p+1