1-[3-[4-(4-bromophenyl)piperazin-1-ium-1-yl]propyl]-3-(2,5-dimethylphenyl)urea

Systemtic Name: 1-[3-[4-(4-bromophenyl)piperazin-1-ium-1-yl]propyl]-3-(2,5-dimethylphenyl)urea Openeye Name: 1-[3-[4-(4-bromophenyl)piperazin-1-ium-1-yl]propyl]-3-(2,5-dimethylphenyl)urea CAS Name: 1-[3-[4-(4-bromophenyl)-1-piperazin-1-iumyl]propyl]-3-(2,5-dimethylphenyl)urea IUPAC Name: 1-[3-[4-(4-bromophenyl)piperazin-1-ium-1-yl]propyl]-3-(2,5-dimethylphenyl)urea Traditional Name: 1-[3-[4-(4-bromophenyl)piperazin-1-ium-1-yl]propyl]-3-(2,5-dimethylphenyl)urea Formula: C22H30BrN4O+ MolecularWeight: 446.4038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)NCCC[NH+]2CCN(CC2)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)NCCC[NH+]2CCN(CC2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H29BrN4O/c1-17-4-5-18(2)21(16-17)25-22(28)24-10-3-11-26-12-14-27(15-13-26)20-8-6-19(23)7-9-20/h4-9,16H,3,10-15H2,1-2H3,(H2,24,25,28)/p+1