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

Systemtic Name: 1-[2-[4-(5-chloranyl-2-methoxy-phenyl)piperazin-1-ium-1-yl]ethyl]-3-(2-methylphenyl)urea Openeye Name: 1-[2-[4-(5-chloro-2-methoxy-phenyl)piperazin-1-ium-1-yl]ethyl]-3-(o-tolyl)urea CAS Name: 1-[2-[4-(5-chloro-2-methoxyphenyl)-1-piperazin-1-iumyl]ethyl]-3-(2-methylphenyl)urea IUPAC Name: 1-[2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-3-(2-methylphenyl)urea Traditional Name: 1-[2-[4-(5-chloro-2-methoxy-phenyl)piperazin-1-ium-1-yl]ethyl]-3-(o-tolyl)urea Formula: C21H28ClN4O2+ MolecularWeight: 403.92562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NCC[NH+]2CCN(CC2)C3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NCC[NH+]2CCN(CC2)C3=C(C=CC(=C3)Cl)OC

InChI

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