(3R,5R)-1-[3-(4-bromanyl-2-methyl-phenoxy)propyl]-3,5-dimethyl-piperidin-1-ium

Systemtic Name: (3R,5R)-1-[3-(4-bromanyl-2-methyl-phenoxy)propyl]-3,5-dimethyl-piperidin-1-ium Openeye Name: (3R,5R)-1-[3-(4-bromo-2-methyl-phenoxy)propyl]-3,5-dimethyl-piperidin-1-ium CAS Name: (3R,5R)-1-[3-(4-bromo-2-methylphenoxy)propyl]-3,5-dimethylpiperidin-1-ium IUPAC Name: (3R,5R)-1-[3-(4-bromo-2-methylphenoxy)propyl]-3,5-dimethylpiperidin-1-ium Traditional Name: (3R,5R)-1-[3-(4-bromo-2-methyl-phenoxy)propyl]-3,5-dimethyl-piperidin-1-ium Formula: C17H27BrNO+ MolecularWeight: 341.30638

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CCCOC2=C(C=C(C=C2)Br)C)C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)CCCOC2=C(C=C(C=C2)Br)C)C

InChI

InChI=1S/C17H26BrNO/c1-13-9-14(2)12-19(11-13)7-4-8-20-17-6-5-16(18)10-15(17)3/h5-6,10,13-14H,4,7-9,11-12H2,1-3H3/p+1/t13-,14-/m1/s1