3-(4-chlorophenyl)-1-(furan-2-ylmethyl)-1-(3-pyrrolidin-1-ium-1-ylpropyl)thiourea

Systemtic Name: 3-(4-chlorophenyl)-1-(furan-2-ylmethyl)-1-(3-pyrrolidin-1-ium-1-ylpropyl)thiourea Openeye Name: 3-(4-chlorophenyl)-1-(2-furylmethyl)-1-(3-pyrrolidin-1-ium-1-ylpropyl)thiourea CAS Name: 3-(4-chlorophenyl)-1-(2-furanylmethyl)-1-[3-(1-pyrrolidin-1-iumyl)propyl]thiourea IUPAC Name: 3-(4-chlorophenyl)-1-(furan-2-ylmethyl)-1-(3-pyrrolidin-1-ium-1-ylpropyl)thiourea Traditional Name: 3-(4-chlorophenyl)-1-(2-furfuryl)-1-(3-pyrrolidin-1-ium-1-ylpropyl)thiourea Formula: C19H25ClN3OS+ MolecularWeight: 378.9393

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCCN(CC2=CC=CO2)C(=S)NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CC[NH+](C1)CCCN(CC2=CC=CO2)C(=S)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H24ClN3OS/c20-16-6-8-17(9-7-16)21-19(25)23(15-18-5-3-14-24-18)13-4-12-22-10-1-2-11-22/h3,5-9,14H,1-2,4,10-13,15H2,(H,21,25)/p+1