1-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-1-(3-piperidin-1-ium-1-ylpropyl)thiourea

Systemtic Name: 1-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-1-(3-piperidin-1-ium-1-ylpropyl)thiourea Openeye Name: 1-(2-furylmethyl)-3-(4-methoxyphenyl)-1-(3-piperidin-1-ium-1-ylpropyl)thiourea CAS Name: 1-(2-furanylmethyl)-3-(4-methoxyphenyl)-1-[3-(1-piperidin-1-iumyl)propyl]thiourea IUPAC Name: 1-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-1-(3-piperidin-1-ium-1-ylpropyl)thiourea Traditional Name: 1-(2-furfuryl)-3-(4-methoxyphenyl)-1-(3-piperidin-1-ium-1-ylpropyl)thiourea Formula: C21H30N3O2S+ MolecularWeight: 388.5468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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