[(2S)-2-(4-bromanylthiophen-2-yl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]azanium

Systemtic Name: [(2S)-2-(4-bromanylthiophen-2-yl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]azanium Openeye Name: [(2S)-2-(4-bromo-2-thienyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]ammonium CAS Name: [(2S)-2-(4-bromo-2-thiophenyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]ammonium IUPAC Name: [(2S)-2-(4-bromothiophen-2-yl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]azanium Traditional Name: [(2S)-2-(4-bromo-2-thienyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]ammonium Formula: C12H22BrN3S+2 MolecularWeight: 320.29218

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(C[NH3+])C2=CC(=CS2)Br

Isomeric SMILES

C[NH+]1CCCN(CC1)[C@@H](C[NH3+])C2=CC(=CS2)Br

InChI

InChI=1S/C12H20BrN3S/c1-15-3-2-4-16(6-5-15)11(8-14)12-7-10(13)9-17-12/h7,9,11H,2-6,8,14H2,1H3/p+2/t11-/m0/s1