(5-bromanylthiophen-2-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (5-bromanylthiophen-2-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(5-bromo-2-thienyl)methanone CAS Name: (5-bromo-2-thiophenyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(5-bromothiophen-2-yl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(5-bromo-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)C(=O)C3=CC=C(S3)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC=C(S3)Br

InChI

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