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

Systemtic Name: (3S)-1-[4-(4-chloranyl-2,6-dimethyl-phenoxy)butyl]-3-methyl-piperidin-1-ium Openeye Name: (3S)-1-[4-(4-chloro-2,6-dimethyl-phenoxy)butyl]-3-methyl-piperidin-1-ium CAS Name: (3S)-1-[4-(4-chloro-2,6-dimethylphenoxy)butyl]-3-methylpiperidin-1-ium IUPAC Name: (3S)-1-[4-(4-chloro-2,6-dimethylphenoxy)butyl]-3-methylpiperidin-1-ium Traditional Name: (3S)-1-[4-(4-chloro-2,6-dimethyl-phenoxy)butyl]-3-methyl-piperidin-1-ium Formula: C18H29ClNO+ MolecularWeight: 310.88196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCCCOC2=C(C=C(C=C2C)Cl)C

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CCCCOC2=C(C=C(C=C2C)Cl)C

InChI

InChI=1S/C18H28ClNO/c1-14-7-6-9-20(13-14)8-4-5-10-21-18-15(2)11-17(19)12-16(18)3/h11-12,14H,4-10,13H2,1-3H3/p+1/t14-/m0/s1