(2S,5S)-5-[(4-bromophenyl)methyl]-1,2-dimethyl-piperidin-1-ium

Systemtic Name: (2S,5S)-5-[(4-bromophenyl)methyl]-1,2-dimethyl-piperidin-1-ium Openeye Name: (2S,5S)-5-[(4-bromophenyl)methyl]-1,2-dimethyl-piperidin-1-ium CAS Name: (2S,5S)-5-[(4-bromophenyl)methyl]-1,2-dimethylpiperidin-1-ium IUPAC Name: (2S,5S)-5-[(4-bromophenyl)methyl]-1,2-dimethylpiperidin-1-ium Traditional Name: (2S,5S)-5-(4-bromobenzyl)-1,2-dimethyl-piperidin-1-ium Formula: C14H21BrN+ MolecularWeight: 283.22724

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C[NH+]1C)CC2=CC=C(C=C2)Br

Isomeric SMILES

C[C@H]1CC[C@H](C[NH+]1C)CC2=CC=C(C=C2)Br

InChI

InChI=1S/C14H20BrN/c1-11-3-4-13(10-16(11)2)9-12-5-7-14(15)8-6-12/h5-8,11,13H,3-4,9-10H2,1-2H3/p+1/t11-,13-/m0/s1