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

Systemtic Name: (3S)-1-[2-[2-(2-chloranyl-4-methyl-phenoxy)ethoxy]ethyl]-3-methyl-piperidin-1-ium Openeye Name: (3S)-1-[2-[2-(2-chloro-4-methyl-phenoxy)ethoxy]ethyl]-3-methyl-piperidin-1-ium CAS Name: (3S)-1-[2-[2-(2-chloro-4-methylphenoxy)ethoxy]ethyl]-3-methylpiperidin-1-ium IUPAC Name: (3S)-1-[2-[2-(2-chloro-4-methylphenoxy)ethoxy]ethyl]-3-methylpiperidin-1-ium Traditional Name: (3S)-1-[2-[2-(2-chloro-4-methyl-phenoxy)ethoxy]ethyl]-3-methyl-piperidin-1-ium Formula: C17H27ClNO2+ MolecularWeight: 312.85478

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCOCCOC2=C(C=C(C=C2)C)Cl

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CCOCCOC2=C(C=C(C=C2)C)Cl

InChI

InChI=1S/C17H26ClNO2/c1-14-5-6-17(16(18)12-14)21-11-10-20-9-8-19-7-3-4-15(2)13-19/h5-6,12,15H,3-4,7-11,13H2,1-2H3/p+1/t15-/m0/s1