(3S)-1-[2-(4-bromanylphenoxy)ethyl]-3-methyl-piperidin-1-ium

Systemtic Name: (3S)-1-[2-(4-bromanylphenoxy)ethyl]-3-methyl-piperidin-1-ium Openeye Name: (3S)-1-[2-(4-bromophenoxy)ethyl]-3-methyl-piperidin-1-ium CAS Name: (3S)-1-[2-(4-bromophenoxy)ethyl]-3-methylpiperidin-1-ium IUPAC Name: (3S)-1-[2-(4-bromophenoxy)ethyl]-3-methylpiperidin-1-ium Traditional Name: (3S)-1-[2-(4-bromophenoxy)ethyl]-3-methyl-piperidin-1-ium Formula: C14H21BrNO+ MolecularWeight: 299.22664

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCOC2=CC=C(C=C2)Br

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CCOC2=CC=C(C=C2)Br

InChI

InChI=1S/C14H20BrNO/c1-12-3-2-8-16(11-12)9-10-17-14-6-4-13(15)5-7-14/h4-7,12H,2-3,8-11H2,1H3/p+1/t12-/m0/s1