(R)-(4-bromophenyl)-[(3S)-3-methylpiperidin-1-ium-1-yl]methanamine

Systemtic Name: (R)-(4-bromophenyl)-[(3S)-3-methylpiperidin-1-ium-1-yl]methanamine Openeye Name: (R)-(4-bromophenyl)-[(3S)-3-methylpiperidin-1-ium-1-yl]methanamine CAS Name: (R)-(4-bromophenyl)-[(3S)-3-methyl-1-piperidin-1-iumyl]methanamine IUPAC Name: (R)-(4-bromophenyl)-[(3S)-3-methylpiperidin-1-ium-1-yl]methanamine Traditional Name: [(R)-(4-bromophenyl)-[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]amine Formula: C13H20BrN2+ MolecularWeight: 284.2153

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)C(C2=CC=C(C=C2)Br)N

Isomeric SMILES

C[C@H]1CCC[NH+](C1)[C@H](C2=CC=C(C=C2)Br)N

InChI

InChI=1S/C13H19BrN2/c1-10-3-2-8-16(9-10)13(15)11-4-6-12(14)7-5-11/h4-7,10,13H,2-3,8-9,15H2,1H3/p+1/t10-,13+/m0/s1