(2-bromophenyl)methyl-methyl-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]azanium

Systemtic Name: (2-bromophenyl)methyl-methyl-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]azanium Openeye Name: (2-bromophenyl)methyl-methyl-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]ammonium CAS Name: (2-bromophenyl)methyl-methyl-[2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl]ammonium IUPAC Name: (2-bromophenyl)methyl-methyl-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]azanium Traditional Name: (2-bromobenzyl)-[2-keto-2-[4-(2-thenoyl)piperazino]ethyl]-methyl-ammonium Formula: C19H23BrN3O2S+ MolecularWeight: 437.37382

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1Br)CC(=O)N2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

C[NH+](CC1=CC=CC=C1Br)CC(=O)N2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C19H22BrN3O2S/c1-21(13-15-5-2-3-6-16(15)20)14-18(24)22-8-10-23(11-9-22)19(25)17-7-4-12-26-17/h2-7,12H,8-11,13-14H2,1H3/p+1