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

Systemtic Name: 4-(4-bromanyl-2-methyl-phenoxy)piperidin-1-ium Openeye Name: 4-(4-bromo-2-methyl-phenoxy)piperidin-1-ium CAS Name: 4-(4-bromo-2-methylphenoxy)piperidin-1-ium IUPAC Name: 4-(4-bromo-2-methylphenoxy)piperidin-1-ium Traditional Name: 4-(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)OC2CC[NH2+]CC2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)OC2CC[NH2+]CC2

InChI

InChI=1S/C12H16BrNO/c1-9-8-10(13)2-3-12(9)15-11-4-6-14-7-5-11/h2-3,8,11,14H,4-7H2,1H3/p+1