(3S)-1-[3-(4-chloranyl-2,3-dimethyl-phenoxy)propyl]-3-methyl-piperidin-1-ium

Systemtic Name: (3S)-1-[3-(4-chloranyl-2,3-dimethyl-phenoxy)propyl]-3-methyl-piperidin-1-ium Openeye Name: (3S)-1-[3-(4-chloro-2,3-dimethyl-phenoxy)propyl]-3-methyl-piperidin-1-ium CAS Name: (3S)-1-[3-(4-chloro-2,3-dimethylphenoxy)propyl]-3-methylpiperidin-1-ium IUPAC Name: (3S)-1-[3-(4-chloro-2,3-dimethylphenoxy)propyl]-3-methylpiperidin-1-ium Traditional Name: (3S)-1-[3-(4-chloro-2,3-dimethyl-phenoxy)propyl]-3-methyl-piperidin-1-ium Formula: C17H27ClNO+ MolecularWeight: 296.85538

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCCOC2=C(C(=C(C=C2)Cl)C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H26ClNO/c1-13-6-4-9-19(12-13)10-5-11-20-17-8-7-16(18)14(2)15(17)3/h7-8,13H,4-6,9-12H2,1-3H3/p+1/t13-/m0/s1