1-[(4-bromanylthiophen-2-yl)methyl]-4-pyridin-1-ium-2-yl-piperazine

Systemtic Name: 1-[(4-bromanylthiophen-2-yl)methyl]-4-pyridin-1-ium-2-yl-piperazine Openeye Name: 1-[(4-bromo-2-thienyl)methyl]-4-pyridin-1-ium-2-yl-piperazine CAS Name: 1-[(4-bromo-2-thiophenyl)methyl]-4-(2-pyridin-1-iumyl)piperazine IUPAC Name: 1-[(4-bromothiophen-2-yl)methyl]-4-pyridin-1-ium-2-ylpiperazine Traditional Name: 1-[(4-bromo-2-thienyl)methyl]-4-pyridin-1-ium-2-yl-piperazine Formula: C14H17BrN3S+ MolecularWeight: 339.27388

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CS2)Br)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CCN1CC2=CC(=CS2)Br)C3=CC=CC=[NH+]3

InChI

InChI=1S/C14H16BrN3S/c15-12-9-13(19-11-12)10-17-5-7-18(8-6-17)14-3-1-2-4-16-14/h1-4,9,11H,5-8,10H2/p+1