1-[3-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]propyl]-3-(phenylmethyl)urea

Systemtic Name: 1-[3-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]propyl]-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[3-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]propyl]urea CAS Name: 1-[3-[(2S)-4-methyl-2-phenyl-1-piperazine-1,4-diiumyl]propyl]-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[3-[(2S)-4-methyl-2-phenylpiperazine-1,4-diium-1-yl]propyl]urea Traditional Name: 1-benzyl-3-[3-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]propyl]urea Formula: C22H32N4O+2 MolecularWeight: 368.51568

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](C(C1)C2=CC=CC=C2)CCCNC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CC[NH+]([C@H](C1)C2=CC=CC=C2)CCCNC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H30N4O/c1-25-15-16-26(21(18-25)20-11-6-3-7-12-20)14-8-13-23-22(27)24-17-19-9-4-2-5-10-19/h2-7,9-12,21H,8,13-18H2,1H3,(H2,23,24,27)/p+2/t21-/m1/s1