(3S)-1-[2-[2-(2-bromanyl-6-chloranyl-4-methyl-phenoxy)ethoxy]ethyl]-3-methyl-piperidin-1-ium

Systemtic Name: (3S)-1-[2-[2-(2-bromanyl-6-chloranyl-4-methyl-phenoxy)ethoxy]ethyl]-3-methyl-piperidin-1-ium Openeye Name: (3S)-1-[2-[2-(2-bromo-6-chloro-4-methyl-phenoxy)ethoxy]ethyl]-3-methyl-piperidin-1-ium CAS Name: (3S)-1-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]-3-methylpiperidin-1-ium IUPAC Name: (3S)-1-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]-3-methylpiperidin-1-ium Traditional Name: (3S)-1-[2-[2-(2-bromo-6-chloro-4-methyl-phenoxy)ethoxy]ethyl]-3-methyl-piperidin-1-ium Formula: C17H26BrClNO2+ MolecularWeight: 391.75084

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCOCCOC2=C(C=C(C=C2Br)C)Cl

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CCOCCOC2=C(C=C(C=C2Br)C)Cl

InChI

InChI=1S/C17H25BrClNO2/c1-13-4-3-5-20(12-13)6-7-21-8-9-22-17-15(18)10-14(2)11-16(17)19/h10-11,13H,3-9,12H2,1-2H3/p+1/t13-/m0/s1