[(2S)-2-(5-bromanylthiophen-2-yl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]azanium

Systemtic Name: [(2S)-2-(5-bromanylthiophen-2-yl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]azanium Openeye Name: [(2S)-2-(5-bromo-2-thienyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]ammonium CAS Name: [(2S)-2-(5-bromo-2-thiophenyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]ammonium IUPAC Name: [(2S)-2-(5-bromothiophen-2-yl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]azanium Traditional Name: [(2S)-2-(5-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=C(S2)Br

Isomeric SMILES

C[NH+]1CCCN(CC1)[C@@H](C[NH3+])C2=CC=C(S2)Br

InChI

InChI=1S/C12H20BrN3S/c1-15-5-2-6-16(8-7-15)10(9-14)11-3-4-12(13)17-11/h3-4,10H,2,5-9,14H2,1H3/p+2/t10-/m0/s1