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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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