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

Systemtic Name: 3-(5-chloranyl-2-methyl-phenyl)-1-(furan-2-ylmethyl)-1-(3-piperidin-1-ium-1-ylpropyl)thiourea Openeye Name: 3-(5-chloro-2-methyl-phenyl)-1-(2-furylmethyl)-1-(3-piperidin-1-ium-1-ylpropyl)thiourea CAS Name: 3-(5-chloro-2-methylphenyl)-1-(2-furanylmethyl)-1-[3-(1-piperidin-1-iumyl)propyl]thiourea IUPAC Name: 3-(5-chloro-2-methylphenyl)-1-(furan-2-ylmethyl)-1-(3-piperidin-1-ium-1-ylpropyl)thiourea Traditional Name: 3-(5-chloro-2-methyl-phenyl)-1-(2-furfuryl)-1-(3-piperidin-1-ium-1-ylpropyl)thiourea Formula: C21H29ClN3OS+ MolecularWeight: 406.99246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=S)N(CCC[NH+]2CCCCC2)CC3=CC=CO3

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=S)N(CCC[NH+]2CCCCC2)CC3=CC=CO3

InChI

InChI=1S/C21H28ClN3OS/c1-17-8-9-18(22)15-20(17)23-21(27)25(16-19-7-5-14-26-19)13-6-12-24-10-3-2-4-11-24/h5,7-9,14-15H,2-4,6,10-13,16H2,1H3,(H,23,27)/p+1