(3S)-3-(4-bromanyl-2-methyl-phenoxy)piperidin-1-ium

Systemtic Name: (3S)-3-(4-bromanyl-2-methyl-phenoxy)piperidin-1-ium Openeye Name: (3S)-3-(4-bromo-2-methyl-phenoxy)piperidin-1-ium CAS Name: (3S)-3-(4-bromo-2-methylphenoxy)piperidin-1-ium IUPAC Name: (3S)-3-(4-bromo-2-methylphenoxy)piperidin-1-ium Traditional Name: (3S)-3-(4-bromo-2-methyl-phenoxy)piperidin-1-ium Formula: C12H17BrNO+ MolecularWeight: 271.17348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)OC2CCC[NH2+]C2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)O[C@H]2CCC[NH2+]C2

InChI

InChI=1S/C12H16BrNO/c1-9-7-10(13)4-5-12(9)15-11-3-2-6-14-8-11/h4-5,7,11,14H,2-3,6,8H2,1H3/p+1/t11-/m0/s1