1-(2,3-dimethylphenyl)-3-[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethyl]urea

Systemtic Name: 1-(2,3-dimethylphenyl)-3-[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethyl]urea Openeye Name: 1-(2,3-dimethylphenyl)-3-[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethyl]urea CAS Name: 1-(2,3-dimethylphenyl)-3-[2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]ethyl]urea IUPAC Name: 1-(2,3-dimethylphenyl)-3-[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethyl]urea Traditional Name: 1-(2,3-dimethylphenyl)-3-[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethyl]urea Formula: C21H28N5O3+ MolecularWeight: 398.47872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O3/c1-16-4-3-5-20(17(16)2)23-21(27)22-10-11-24-12-14-25(15-13-24)18-6-8-19(9-7-18)26(28)29/h3-9H,10-15H2,1-2H3,(H2,22,23,27)/p+1