2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone Openeye Name: 2-[4-[(5-bromo-2-thienyl)methyl]piperazin-1-ium-1-yl]-1-[4-(m-tolyl)piperazin-1-yl]ethanone CAS Name: 2-[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-1-iumyl]-1-[4-(3-methylphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-ium-1-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[4-[(5-bromo-2-thienyl)methyl]piperazin-1-ium-1-yl]-1-[4-(m-tolyl)piperazino]ethanone Formula: C22H30BrN4OS+ MolecularWeight: 478.4688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C[NH+]3CCN(CC3)CC4=CC=C(S4)Br

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C[NH+]3CCN(CC3)CC4=CC=C(S4)Br

InChI

InChI=1S/C22H29BrN4OS/c1-18-3-2-4-19(15-18)26-11-13-27(14-12-26)22(28)17-25-9-7-24(8-10-25)16-20-5-6-21(23)29-20/h2-6,15H,7-14,16-17H2,1H3/p+1