3-(3-chlorophenyl)-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-1-propyl-piperidin-1-ium-2-carbothioate

Systemtic Name: 3-(3-chlorophenyl)-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-1-propyl-piperidin-1-ium-2-carbothioate Openeye Name: 3-(3-chlorophenyl)-1-(3,3-dimethyl-2-oxo-pentanoyl)-1-propyl-piperidin-1-ium-2-carbothioate CAS Name: 3-(3-chlorophenyl)-1-(3,3-dimethyl-1,2-dioxopentyl)-1-propyl-2-piperidin-1-iumcarbothioate IUPAC Name: 3-(3-chlorophenyl)-1-(3,3-dimethyl-2-oxopentanoyl)-1-propylpiperidin-1-ium-2-carbothioate Traditional Name: 3-(3-chlorophenyl)-1-(2-keto-3,3-dimethyl-pentanoyl)-1-propyl-piperidin-1-ium-2-carbothioate Formula: C22H30ClNO3S MolecularWeight: 423.9965

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CCCC(C1C(=S)[O-])C2=CC(=CC=C2)Cl)C(=O)C(=O)C(C)(C)CC

Isomeric SMILES

CCC[N+]1(CCCC(C1C(=S)[O-])C2=CC(=CC=C2)Cl)C(=O)C(=O)C(C)(C)CC

InChI

InChI=1S/C22H30ClNO3S/c1-5-12-24(20(26)19(25)22(3,4)6-2)13-8-11-17(18(24)21(27)28)15-9-7-10-16(23)14-15/h7,9-10,14,17-18H,5-6,8,11-13H2,1-4H3