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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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