(4-bromanylthiophen-2-yl)-(4-phenethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (4-bromanylthiophen-2-yl)-(4-phenethylpiperazin-4-ium-1-yl)methanone Openeye Name: (4-bromo-2-thienyl)-(4-phenethylpiperazin-4-ium-1-yl)methanone CAS Name: (4-bromo-2-thiophenyl)-(4-phenethyl-1-piperazin-4-iumyl)methanone IUPAC Name: (4-bromothiophen-2-yl)-(4-phenethylpiperazin-4-ium-1-yl)methanone Traditional Name: (4-bromo-2-thienyl)-(4-phenethylpiperazin-4-ium-1-yl)methanone Formula: C17H20BrN2OS+ MolecularWeight: 380.3225

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)C3=CC(=CS3)Br

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)C3=CC(=CS3)Br

InChI

InChI=1S/C17H19BrN2OS/c18-15-12-16(22-13-15)17(21)20-10-8-19(9-11-20)7-6-14-4-2-1-3-5-14/h1-5,12-13H,6-11H2/p+1