(3R,5R)-1-[4-(4-chloranyl-3-methyl-phenoxy)butyl]-3,5-dimethyl-piperidin-1-ium

Systemtic Name: (3R,5R)-1-[4-(4-chloranyl-3-methyl-phenoxy)butyl]-3,5-dimethyl-piperidin-1-ium Openeye Name: (3R,5R)-1-[4-(4-chloro-3-methyl-phenoxy)butyl]-3,5-dimethyl-piperidin-1-ium CAS Name: (3R,5R)-1-[4-(4-chloro-3-methylphenoxy)butyl]-3,5-dimethylpiperidin-1-ium IUPAC Name: (3R,5R)-1-[4-(4-chloro-3-methylphenoxy)butyl]-3,5-dimethylpiperidin-1-ium Traditional Name: (3R,5R)-1-[4-(4-chloro-3-methyl-phenoxy)butyl]-3,5-dimethyl-piperidin-1-ium Formula: C18H29ClNO+ MolecularWeight: 310.88196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CCCCOC2=CC(=C(C=C2)Cl)C)C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)CCCCOC2=CC(=C(C=C2)Cl)C)C

InChI

InChI=1S/C18H28ClNO/c1-14-10-15(2)13-20(12-14)8-4-5-9-21-17-6-7-18(19)16(3)11-17/h6-7,11,14-15H,4-5,8-10,12-13H2,1-3H3/p+1/t14-,15-/m1/s1