1-[2-[4-(2-chloranyl-5-ethoxy-phenyl)piperazin-1-ium-1-yl]ethyl]-3-(4-methylphenyl)thiourea

Systemtic Name: 1-[2-[4-(2-chloranyl-5-ethoxy-phenyl)piperazin-1-ium-1-yl]ethyl]-3-(4-methylphenyl)thiourea Openeye Name: 1-[2-[4-(2-chloro-5-ethoxy-phenyl)piperazin-1-ium-1-yl]ethyl]-3-(p-tolyl)thiourea CAS Name: 1-[2-[4-(2-chloro-5-ethoxyphenyl)-1-piperazin-1-iumyl]ethyl]-3-(4-methylphenyl)thiourea IUPAC Name: 1-[2-[4-(2-chloro-5-ethoxyphenyl)piperazin-1-ium-1-yl]ethyl]-3-(4-methylphenyl)thiourea Traditional Name: 1-[2-[4-(2-chloro-5-ethoxy-phenyl)piperazin-1-ium-1-yl]ethyl]-3-(p-tolyl)thiourea Formula: C22H30ClN4OS+ MolecularWeight: 434.0178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)Cl)N2CC[NH+](CC2)CCNC(=S)NC3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=CC(=C(C=C1)Cl)N2CC[NH+](CC2)CCNC(=S)NC3=CC=C(C=C3)C

InChI

InChI=1S/C22H29ClN4OS/c1-3-28-19-8-9-20(23)21(16-19)27-14-12-26(13-15-27)11-10-24-22(29)25-18-6-4-17(2)5-7-18/h4-9,16H,3,10-15H2,1-2H3,(H2,24,25,29)/p+1