1-(2-chloranyl-5-methyl-phenyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]urea

Systemtic Name: 1-(2-chloranyl-5-methyl-phenyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]urea Openeye Name: 1-(2-chloro-5-methyl-phenyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]urea CAS Name: 1-(2-chloro-5-methylphenyl)-3-[2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]ethyl]urea IUPAC Name: 1-(2-chloro-5-methylphenyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]urea Traditional Name: 1-(2-chloro-5-methyl-phenyl)-3-[2-[4-(2-methoxyphenyl)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)Cl)NC(=O)NCC[NH+]2CCN(CC2)C3=CC=CC=C3OC

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)NC(=O)NCC[NH+]2CCN(CC2)C3=CC=CC=C3OC

InChI

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