(3-bromophenyl)methyl-[(2S)-2-ethylhexyl]azanium

Systemtic Name: (3-bromophenyl)methyl-[(2S)-2-ethylhexyl]azanium Openeye Name: (3-bromophenyl)methyl-[(2S)-2-ethylhexyl]ammonium CAS Name: (3-bromophenyl)methyl-[(2S)-2-ethylhexyl]ammonium IUPAC Name: (3-bromophenyl)methyl-[(2S)-2-ethylhexyl]azanium Traditional Name: (3-bromobenzyl)-[(2S)-2-ethylhexyl]ammonium Formula: C15H25BrN+ MolecularWeight: 299.2697

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C[NH2+]CC1=CC(=CC=C1)Br

Isomeric SMILES

CCCC[C@H](CC)C[NH2+]CC1=CC(=CC=C1)Br

InChI

InChI=1S/C15H24BrN/c1-3-5-7-13(4-2)11-17-12-14-8-6-9-15(16)10-14/h6,8-10,13,17H,3-5,7,11-12H2,1-2H3/p+1/t13-/m0/s1