[(2S)-2-(5-bromanylthiophen-2-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium

Systemtic Name: [(2S)-2-(5-bromanylthiophen-2-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: [(2S)-2-(5-bromo-2-thienyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: [(2S)-2-(5-bromo-2-thiophenyl)-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: [(2S)-2-(5-bromothiophen-2-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: [(2S)-2-(5-bromo-2-thienyl)-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]ammonium Formula: C15H21BrN4S+2 MolecularWeight: 369.32304

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(C[NH3+])C3=CC=C(S3)Br

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)[C@@H](C[NH3+])C3=CC=C(S3)Br

InChI

InChI=1S/C15H19BrN4S/c16-14-5-4-13(21-14)12(11-17)19-7-9-20(10-8-19)15-3-1-2-6-18-15/h1-6,12H,7-11,17H2/p+2/t12-/m0/s1