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

Systemtic Name: 4-[(4-bromanyl-2-methyl-phenoxy)methyl]piperidin-1-ium Openeye Name: 4-[(4-bromo-2-methyl-phenoxy)methyl]piperidin-1-ium CAS Name: 4-[(4-bromo-2-methylphenoxy)methyl]piperidin-1-ium IUPAC Name: 4-[(4-bromo-2-methylphenoxy)methyl]piperidin-1-ium Traditional Name: 4-[(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)OCC2CC[NH2+]CC2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)OCC2CC[NH2+]CC2

InChI

InChI=1S/C13H18BrNO/c1-10-8-12(14)2-3-13(10)16-9-11-4-6-15-7-5-11/h2-3,8,11,15H,4-7,9H2,1H3/p+1