(4-bromanylthiophen-2-yl)methyl-[(2S)-6-methylheptan-2-yl]azanium

Systemtic Name: (4-bromanylthiophen-2-yl)methyl-[(2S)-6-methylheptan-2-yl]azanium Openeye Name: (4-bromo-2-thienyl)methyl-[(1S)-1,5-dimethylhexyl]ammonium CAS Name: (4-bromo-2-thiophenyl)methyl-[(2S)-6-methylheptan-2-yl]ammonium IUPAC Name: (4-bromothiophen-2-yl)methyl-[(2S)-6-methylheptan-2-yl]azanium Traditional Name: (4-bromo-2-thienyl)methyl-[(1S)-1,5-dimethylhexyl]ammonium Formula: C13H23BrNS+ MolecularWeight: 305.29742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)[NH2+]CC1=CC(=CS1)Br

Isomeric SMILES

C[C@@H](CCCC(C)C)[NH2+]CC1=CC(=CS1)Br

InChI

InChI=1S/C13H22BrNS/c1-10(2)5-4-6-11(3)15-8-13-7-12(14)9-16-13/h7,9-11,15H,4-6,8H2,1-3H3/p+1/t11-/m0/s1