1-(3-chlorophenyl)-3-[2-[4-(4-ethoxyphenyl)piperazin-1-ium-1-yl]ethyl]urea

Systemtic Name: 1-(3-chlorophenyl)-3-[2-[4-(4-ethoxyphenyl)piperazin-1-ium-1-yl]ethyl]urea Openeye Name: 1-(3-chlorophenyl)-3-[2-[4-(4-ethoxyphenyl)piperazin-1-ium-1-yl]ethyl]urea CAS Name: 1-(3-chlorophenyl)-3-[2-[4-(4-ethoxyphenyl)-1-piperazin-1-iumyl]ethyl]urea IUPAC Name: 1-(3-chlorophenyl)-3-[2-[4-(4-ethoxyphenyl)piperazin-1-ium-1-yl]ethyl]urea Traditional Name: 1-(3-chlorophenyl)-3-[2-(4-p-phenetylpiperazin-1-ium-1-yl)ethyl]urea Formula: C21H28ClN4O2+ MolecularWeight: 403.92562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN4O2/c1-2-28-20-8-6-19(7-9-20)26-14-12-25(13-15-26)11-10-23-21(27)24-18-5-3-4-17(22)16-18/h3-9,16H,2,10-15H2,1H3,(H2,23,24,27)/p+1