2,6-bis(4-chlorophenyl)-3-methyl-piperidin-1-ium-4-one ethanoate

Systemtic Name: 2,6-bis(4-chlorophenyl)-3-methyl-piperidin-1-ium-4-one ethanoate Openeye Name: 2,6-bis(4-chlorophenyl)-3-methyl-piperidin-1-ium-4-one acetate CAS Name: 2,6-bis(4-chlorophenyl)-3-methyl-4-piperidin-1-iumone acetate IUPAC Name: 2,6-bis(4-chlorophenyl)-3-methylpiperidin-1-ium-4-one acetate Traditional Name: 2,6-bis(4-chlorophenyl)-3-methyl-piperidin-1-ium-4-one acetate Formula: C20H21Cl2NO3 MolecularWeight: 394.29164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C([NH2+]C(CC1=O)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl.CC(=O)[O-]

Isomeric SMILES

CC1C([NH2+]C(CC1=O)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl.CC(=O)[O-]

InChI

InChI=1S/C18H17Cl2NO.C2H4O2/c1-11-17(22)10-16(12-2-6-14(19)7-3-12)21-18(11)13-4-8-15(20)9-5-13;1-2(3)4/h2-9,11,16,18,21H,10H2,1H3;1H3,(H,3,4)