1-[(2R)-3-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)butyl]-3-(3-nitrophenyl)urea

Systemtic Name: 1-[(2R)-3-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)butyl]-3-(3-nitrophenyl)urea Openeye Name: 1-[(2R)-3-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)butyl]-3-(3-nitrophenyl)urea CAS Name: 1-[(2R)-3-methyl-2-(4-methyl-1-piperazine-1,4-diiumyl)butyl]-3-(3-nitrophenyl)urea IUPAC Name: 1-[(2R)-3-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)butyl]-3-(3-nitrophenyl)urea Traditional Name: 1-[(2R)-3-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)butyl]-3-(3-nitrophenyl)urea Formula: C17H29N5O3+2 MolecularWeight: 351.44386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])[NH+]2CC[NH+](CC2)C

Isomeric SMILES

CC(C)[C@H](CNC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])[NH+]2CC[NH+](CC2)C

InChI

InChI=1S/C17H27N5O3/c1-13(2)16(21-9-7-20(3)8-10-21)12-18-17(23)19-14-5-4-6-15(11-14)22(24)25/h4-6,11,13,16H,7-10,12H2,1-3H3,(H2,18,19,23)/p+2/t16-/m0/s1