3-(5-chloranyl-2-methyl-phenyl)-1-(furan-2-ylmethyl)-1-(3-pyrrolidin-1-ium-1-ylpropyl)thiourea

Systemtic Name: 3-(5-chloranyl-2-methyl-phenyl)-1-(furan-2-ylmethyl)-1-(3-pyrrolidin-1-ium-1-ylpropyl)thiourea Openeye Name: 3-(5-chloro-2-methyl-phenyl)-1-(2-furylmethyl)-1-(3-pyrrolidin-1-ium-1-ylpropyl)thiourea CAS Name: 3-(5-chloro-2-methylphenyl)-1-(2-furanylmethyl)-1-[3-(1-pyrrolidin-1-iumyl)propyl]thiourea IUPAC Name: 3-(5-chloro-2-methylphenyl)-1-(furan-2-ylmethyl)-1-(3-pyrrolidin-1-ium-1-ylpropyl)thiourea Traditional Name: 3-(5-chloro-2-methyl-phenyl)-1-(2-furfuryl)-1-(3-pyrrolidin-1-ium-1-ylpropyl)thiourea Formula: C20H27ClN3OS+ MolecularWeight: 392.96588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=S)N(CCC[NH+]2CCCC2)CC3=CC=CO3

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=S)N(CCC[NH+]2CCCC2)CC3=CC=CO3

InChI

InChI=1S/C20H26ClN3OS/c1-16-7-8-17(21)14-19(16)22-20(26)24(15-18-6-4-13-25-18)12-5-11-23-9-2-3-10-23/h4,6-8,13-14H,2-3,5,9-12,15H2,1H3,(H,22,26)/p+1