1-(3-bromophenyl)-3-(4-methylpiperazin-4-ium-1-yl)thiourea

Systemtic Name: 1-(3-bromophenyl)-3-(4-methylpiperazin-4-ium-1-yl)thiourea Openeye Name: 1-(3-bromophenyl)-3-(4-methylpiperazin-4-ium-1-yl)thiourea CAS Name: 1-(3-bromophenyl)-3-(4-methyl-1-piperazin-4-iumyl)thiourea IUPAC Name: 1-(3-bromophenyl)-3-(4-methylpiperazin-4-ium-1-yl)thiourea Traditional Name: 1-(3-bromophenyl)-3-(4-methylpiperazin-4-ium-1-yl)thiourea Formula: C12H18BrN4S+ MolecularWeight: 330.26712

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=S)NC2=CC(=CC=C2)Br

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=S)NC2=CC(=CC=C2)Br

InChI

InChI=1S/C12H17BrN4S/c1-16-5-7-17(8-6-16)15-12(18)14-11-4-2-3-10(13)9-11/h2-4,9H,5-8H2,1H3,(H2,14,15,18)/p+1