[4-[(3-bromophenyl)methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[(3-bromophenyl)methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[(3-bromophenyl)methyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone CAS Name: [4-[(3-bromophenyl)methyl]-1-piperazin-4-iumyl]-thiophen-2-ylmethanone IUPAC Name: [4-[(3-bromophenyl)methyl]piperazin-4-ium-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-(3-bromobenzyl)piperazin-4-ium-1-yl]-(2-thienyl)methanone Formula: C16H18BrN2OS+ MolecularWeight: 366.29592

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)Br)C(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)Br)C(=O)C3=CC=CS3

InChI

InChI=1S/C16H17BrN2OS/c17-14-4-1-3-13(11-14)12-18-6-8-19(9-7-18)16(20)15-5-2-10-21-15/h1-5,10-11H,6-9,12H2/p+1