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

Systemtic Name: 3-(2-chlorophenyl)-1-(3-piperidin-1-ium-1-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 3-(2-chlorophenyl)-1-(3-piperidin-1-ium-1-ylpropyl)-1-(2-thienylmethyl)thiourea CAS Name: 3-(2-chlorophenyl)-1-[3-(1-piperidin-1-iumyl)propyl]-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 3-(2-chlorophenyl)-1-(3-piperidin-1-ium-1-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 3-(2-chlorophenyl)-1-(3-piperidin-1-ium-1-ylpropyl)-1-(2-thenyl)thiourea Formula: C20H27ClN3S2+ MolecularWeight: 409.03148

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCN(CC2=CC=CS2)C(=S)NC3=CC=CC=C3Cl

Isomeric SMILES

C1CC[NH+](CC1)CCCN(CC2=CC=CS2)C(=S)NC3=CC=CC=C3Cl

InChI

InChI=1S/C20H26ClN3S2/c21-18-9-2-3-10-19(18)22-20(25)24(16-17-8-6-15-26-17)14-7-13-23-11-4-1-5-12-23/h2-3,6,8-10,15H,1,4-5,7,11-14,16H2,(H,22,25)/p+1