1-(4-bromophenyl)-3-[4-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]phenyl]urea

Systemtic Name: 1-(4-bromophenyl)-3-[4-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]phenyl]urea Openeye Name: 1-(4-bromophenyl)-3-[4-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]phenyl]urea CAS Name: 1-(4-bromophenyl)-3-[4-[(4-ethyl-1-piperazine-1,4-diiumyl)methyl]phenyl]urea IUPAC Name: 1-(4-bromophenyl)-3-[4-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]phenyl]urea Traditional Name: 1-(4-bromophenyl)-3-[4-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]phenyl]urea Formula: C20H27BrN4O+2 MolecularWeight: 419.35858

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CC2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CC2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H25BrN4O/c1-2-24-11-13-25(14-12-24)15-16-3-7-18(8-4-16)22-20(26)23-19-9-5-17(21)6-10-19/h3-10H,2,11-15H2,1H3,(H2,22,23,26)/p+2