(3S)-1-[4-(2-bromanyl-4,6-dimethyl-phenoxy)butyl]-3-methyl-piperidin-1-ium

Systemtic Name: (3S)-1-[4-(2-bromanyl-4,6-dimethyl-phenoxy)butyl]-3-methyl-piperidin-1-ium Openeye Name: (3S)-1-[4-(2-bromo-4,6-dimethyl-phenoxy)butyl]-3-methyl-piperidin-1-ium CAS Name: (3S)-1-[4-(2-bromo-4,6-dimethylphenoxy)butyl]-3-methylpiperidin-1-ium IUPAC Name: (3S)-1-[4-(2-bromo-4,6-dimethylphenoxy)butyl]-3-methylpiperidin-1-ium Traditional Name: (3S)-1-[4-(2-bromo-4,6-dimethyl-phenoxy)butyl]-3-methyl-piperidin-1-ium Formula: C18H29BrNO+ MolecularWeight: 355.33296

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCCCOC2=C(C=C(C=C2Br)C)C

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CCCCOC2=C(C=C(C=C2Br)C)C

InChI

InChI=1S/C18H28BrNO/c1-14-7-6-9-20(13-14)8-4-5-10-21-18-16(3)11-15(2)12-17(18)19/h11-12,14H,4-10,13H2,1-3H3/p+1/t14-/m0/s1