N-[(2-bromophenyl)methyl]-N-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(2-bromophenyl)methyl]-N-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(2-bromophenyl)methyl]-N-methyl-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(2-bromophenyl)methyl]-N-methyl-2-[4-(2-thiazolyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2-bromophenyl)methyl]-N-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-bromobenzyl)-N-methyl-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C17H22BrN4OS+ MolecularWeight: 410.35178

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1Br)C(=O)C[NH+]2CCN(CC2)C3=NC=CS3

Isomeric SMILES

CN(CC1=CC=CC=C1Br)C(=O)C[NH+]2CCN(CC2)C3=NC=CS3

InChI

InChI=1S/C17H21BrN4OS/c1-20(12-14-4-2-3-5-15(14)18)16(23)13-21-7-9-22(10-8-21)17-19-6-11-24-17/h2-6,11H,7-10,12-13H2,1H3/p+1