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

Systemtic Name: 1-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-1-(3-piperidin-1-ium-1-ylpropyl)thiourea Openeye Name: 1-(2-furylmethyl)-3-(3-methoxyphenyl)-1-(3-piperidin-1-ium-1-ylpropyl)thiourea CAS Name: 1-(2-furanylmethyl)-3-(3-methoxyphenyl)-1-[3-(1-piperidin-1-iumyl)propyl]thiourea IUPAC Name: 1-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-1-(3-piperidin-1-ium-1-ylpropyl)thiourea Traditional Name: 1-(2-furfuryl)-3-(3-methoxyphenyl)-1-(3-piperidin-1-ium-1-ylpropyl)thiourea Formula: C21H30N3O2S+ MolecularWeight: 388.5468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)N(CCC[NH+]2CCCCC2)CC3=CC=CO3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)N(CCC[NH+]2CCCCC2)CC3=CC=CO3

InChI

InChI=1S/C21H29N3O2S/c1-25-19-9-5-8-18(16-19)22-21(27)24(17-20-10-6-15-26-20)14-7-13-23-11-3-2-4-12-23/h5-6,8-10,15-16H,2-4,7,11-14,17H2,1H3,(H,22,27)/p+1