3-(2-ethylphenyl)-1-(furan-2-ylmethyl)-1-(3-piperidin-1-ium-1-ylpropyl)thiourea

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)N(CCC[NH+]2CCCCC2)CC3=CC=CO3

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)N(CCC[NH+]2CCCCC2)CC3=CC=CO3

InChI

InChI=1S/C22H31N3OS/c1-2-19-10-4-5-12-21(19)23-22(27)25(18-20-11-8-17-26-20)16-9-15-24-13-6-3-7-14-24/h4-5,8,10-12,17H,2-3,6-7,9,13-16,18H2,1H3,(H,23,27)/p+1