1-[(1S,2R)-1-(4-methylpiperazine-1,4-diium-1-yl)-1-phenyl-propan-2-yl]-3-phenyl-urea

Systemtic Name: 1-[(1S,2R)-1-(4-methylpiperazine-1,4-diium-1-yl)-1-phenyl-propan-2-yl]-3-phenyl-urea Openeye Name: 1-[(1R,2S)-1-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)-2-phenyl-ethyl]-3-phenyl-urea CAS Name: 1-[(1S,2R)-1-(4-methyl-1-piperazine-1,4-diiumyl)-1-phenylpropan-2-yl]-3-phenylurea IUPAC Name: 1-[(1S,2R)-1-(4-methylpiperazine-1,4-diium-1-yl)-1-phenylpropan-2-yl]-3-phenylurea Traditional Name: 1-[(1R,2S)-1-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)-2-phenyl-ethyl]-3-phenyl-urea Formula: C21H30N4O+2 MolecularWeight: 354.4891

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)[NH+]2CC[NH+](CC2)C)NC(=O)NC3=CC=CC=C3

Isomeric SMILES

C[C@H]([C@H](C1=CC=CC=C1)[NH+]2CC[NH+](CC2)C)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H28N4O/c1-17(22-21(26)23-19-11-7-4-8-12-19)20(18-9-5-3-6-10-18)25-15-13-24(2)14-16-25/h3-12,17,20H,13-16H2,1-2H3,(H2,22,23,26)/p+2/t17-,20-/m1/s1