3-(4-ethylphenyl)-1-(furan-2-ylmethyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)thiourea

Systemtic Name: 3-(4-ethylphenyl)-1-(furan-2-ylmethyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)thiourea Openeye Name: 3-(4-ethylphenyl)-1-(2-furylmethyl)-1-(1-isopropylpiperidin-1-ium-4-yl)thiourea CAS Name: 3-(4-ethylphenyl)-1-(2-furanylmethyl)-1-(1-propan-2-yl-4-piperidin-1-iumyl)thiourea IUPAC Name: 3-(4-ethylphenyl)-1-(furan-2-ylmethyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)thiourea Traditional Name: 3-(4-ethylphenyl)-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:

CCC1=CC=C(C=C1)NC(=S)N(CC2=CC=CO2)C3CC[NH+](CC3)C(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)N(CC2=CC=CO2)C3CC[NH+](CC3)C(C)C

InChI

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