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

Systemtic Name: 1-[4-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]carbonylphenyl]-3-phenyl-urea Openeye Name: 1-[4-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-carbonyl]phenyl]-3-phenyl-urea CAS Name: 1-[4-[[(2S)-4-methyl-2-phenyl-1-piperazin-4-iumyl]-oxomethyl]phenyl]-3-phenylurea IUPAC Name: 1-[4-[(2S)-4-methyl-2-phenylpiperazin-4-ium-1-carbonyl]phenyl]-3-phenylurea Traditional Name: 1-[4-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-carbonyl]phenyl]-3-phenyl-urea Formula: C25H27N4O2+ MolecularWeight: 415.50748

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(C(C1)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)NC(=O)NC4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN([C@H](C1)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)NC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C25H26N4O2/c1-28-16-17-29(23(18-28)19-8-4-2-5-9-19)24(30)20-12-14-22(15-13-20)27-25(31)26-21-10-6-3-7-11-21/h2-15,23H,16-18H2,1H3,(H2,26,27,31)/p+1/t23-/m1/s1