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

Systemtic Name: 1-(4-methoxy-2-nitro-phenyl)-3-[2-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]ethyl]urea Openeye Name: 1-(4-methoxy-2-nitro-phenyl)-3-[2-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]ethyl]urea CAS Name: 1-(4-methoxy-2-nitrophenyl)-3-[2-[(2S)-4-methyl-2-phenyl-1-piperazin-4-iumyl]ethyl]urea IUPAC Name: 1-(4-methoxy-2-nitrophenyl)-3-[2-[(2S)-4-methyl-2-phenylpiperazin-4-ium-1-yl]ethyl]urea Traditional Name: 1-(4-methoxy-2-nitro-phenyl)-3-[2-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]ethyl]urea Formula: C21H28N5O4+ MolecularWeight: 414.47812

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(C(C1)C2=CC=CC=C2)CCNC(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN([C@H](C1)C2=CC=CC=C2)CCNC(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H27N5O4/c1-24-12-13-25(20(15-24)16-6-4-3-5-7-16)11-10-22-21(27)23-18-9-8-17(30-2)14-19(18)26(28)29/h3-9,14,20H,10-13,15H2,1-2H3,(H2,22,23,27)/p+1/t20-/m1/s1