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

Systemtic Name: 3-(5-chloranyl-2-methyl-phenyl)-1-(3-piperidin-1-ium-1-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 3-(5-chloro-2-methyl-phenyl)-1-(3-piperidin-1-ium-1-ylpropyl)-1-(2-thienylmethyl)thiourea CAS Name: 3-(5-chloro-2-methylphenyl)-1-[3-(1-piperidin-1-iumyl)propyl]-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 3-(5-chloro-2-methylphenyl)-1-(3-piperidin-1-ium-1-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 3-(5-chloro-2-methyl-phenyl)-1-(3-piperidin-1-ium-1-ylpropyl)-1-(2-thenyl)thiourea Formula: C21H29ClN3S2+ MolecularWeight: 423.05806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=S)N(CCC[NH+]2CCCCC2)CC3=CC=CS3

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=S)N(CCC[NH+]2CCCCC2)CC3=CC=CS3

InChI

InChI=1S/C21H28ClN3S2/c1-17-8-9-18(22)15-20(17)23-21(26)25(16-19-7-5-14-27-19)13-6-12-24-10-3-2-4-11-24/h5,7-9,14-15H,2-4,6,10-13,16H2,1H3,(H,23,26)/p+1