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

Systemtic Name: (3S)-3-[(4-bromanyl-2-methyl-phenoxy)methyl]piperidin-1-ium Openeye Name: (3S)-3-[(4-bromo-2-methyl-phenoxy)methyl]piperidin-1-ium CAS Name: (3S)-3-[(4-bromo-2-methylphenoxy)methyl]piperidin-1-ium IUPAC Name: (3S)-3-[(4-bromo-2-methylphenoxy)methyl]piperidin-1-ium Traditional Name: (3S)-3-[(4-bromo-2-methyl-phenoxy)methyl]piperidin-1-ium Formula: C13H19BrNO+ MolecularWeight: 285.20006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)OCC2CCC[NH2+]C2

Isomeric SMILES

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

InChI

InChI=1S/C13H18BrNO/c1-10-7-12(14)4-5-13(10)16-9-11-3-2-6-15-8-11/h4-5,7,11,15H,2-3,6,8-9H2,1H3/p+1/t11-/m0/s1