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

Systemtic Name: 3-(2-chlorophenyl)-1-(furan-2-ylmethyl)-1-(3-piperidin-1-ium-1-ylpropyl)thiourea Openeye Name: 3-(2-chlorophenyl)-1-(2-furylmethyl)-1-(3-piperidin-1-ium-1-ylpropyl)thiourea CAS Name: 3-(2-chlorophenyl)-1-(2-furanylmethyl)-1-[3-(1-piperidin-1-iumyl)propyl]thiourea IUPAC Name: 3-(2-chlorophenyl)-1-(furan-2-ylmethyl)-1-(3-piperidin-1-ium-1-ylpropyl)thiourea Traditional Name: 3-(2-chlorophenyl)-1-(2-furfuryl)-1-(3-piperidin-1-ium-1-ylpropyl)thiourea Formula: C20H27ClN3OS+ MolecularWeight: 392.96588

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCN(CC2=CC=CO2)C(=S)NC3=CC=CC=C3Cl

Isomeric SMILES

C1CC[NH+](CC1)CCCN(CC2=CC=CO2)C(=S)NC3=CC=CC=C3Cl

InChI

InChI=1S/C20H26ClN3OS/c21-18-9-2-3-10-19(18)22-20(26)24(16-17-8-6-15-25-17)14-7-13-23-11-4-1-5-12-23/h2-3,6,8-10,15H,1,4-5,7,11-14,16H2,(H,22,26)/p+1