1-(2-chloranyl-4-methoxy-phenyl)-3-[2-[4-(4-methylphenyl)piperazin-1-ium-1-yl]ethyl]urea

Systemtic Name: 1-(2-chloranyl-4-methoxy-phenyl)-3-[2-[4-(4-methylphenyl)piperazin-1-ium-1-yl]ethyl]urea Openeye Name: 1-(2-chloro-4-methoxy-phenyl)-3-[2-[4-(p-tolyl)piperazin-1-ium-1-yl]ethyl]urea CAS Name: 1-(2-chloro-4-methoxyphenyl)-3-[2-[4-(4-methylphenyl)-1-piperazin-1-iumyl]ethyl]urea IUPAC Name: 1-(2-chloro-4-methoxyphenyl)-3-[2-[4-(4-methylphenyl)piperazin-1-ium-1-yl]ethyl]urea Traditional Name: 1-(2-chloro-4-methoxy-phenyl)-3-[2-[4-(p-tolyl)piperazin-1-ium-1-yl]ethyl]urea Formula: C21H28ClN4O2+ MolecularWeight: 403.92562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC[NH+](CC2)CCNC(=O)NC3=C(C=C(C=C3)OC)Cl

Isomeric SMILES

CC1=CC=C(C=C1)N2CC[NH+](CC2)CCNC(=O)NC3=C(C=C(C=C3)OC)Cl

InChI

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