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

Systemtic Name: 1-(4-chlorophenyl)-3-[2-[4-(5-methyl-2-nitro-phenyl)piperazin-1-ium-1-yl]ethyl]urea Openeye Name: 1-(4-chlorophenyl)-3-[2-[4-(5-methyl-2-nitro-phenyl)piperazin-1-ium-1-yl]ethyl]urea CAS Name: 1-(4-chlorophenyl)-3-[2-[4-(5-methyl-2-nitrophenyl)-1-piperazin-1-iumyl]ethyl]urea IUPAC Name: 1-(4-chlorophenyl)-3-[2-[4-(5-methyl-2-nitrophenyl)piperazin-1-ium-1-yl]ethyl]urea Traditional Name: 1-(4-chlorophenyl)-3-[2-[4-(5-methyl-2-nitro-phenyl)piperazin-1-ium-1-yl]ethyl]urea Formula: C20H25ClN5O3+ MolecularWeight: 418.8972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN5O3/c1-15-2-7-18(26(28)29)19(14-15)25-12-10-24(11-13-25)9-8-22-20(27)23-17-5-3-16(21)4-6-17/h2-7,14H,8-13H2,1H3,(H2,22,23,27)/p+1