1-butyl-1-(2-cyclohexyl-2-oxidanylidene-ethanoyl)-4-phenyl-pyrrolidin-1-ium-2-carbothioic S-acid

Systemtic Name: 1-butyl-1-(2-cyclohexyl-2-oxidanylidene-ethanoyl)-4-phenyl-pyrrolidin-1-ium-2-carbothioic S-acid Openeye Name: 1-butyl-1-(2-cyclohexyl-2-oxo-acetyl)-4-phenyl-pyrrolidin-1-ium-2-carbothioic S-acid CAS Name: 1-butyl-1-(2-cyclohexyl-1,2-dioxoethyl)-4-phenyl-2-pyrrolidin-1-iumcarbothioic S-acid IUPAC Name: 1-butyl-1-(2-cyclohexyl-2-oxoacetyl)-4-phenylpyrrolidin-1-ium-2-carbothioic S-acid Traditional Name: 1-butyl-1-(2-cyclohexyl-2-keto-acetyl)-4-phenyl-pyrrolidin-1-ium-2-carbothioic S-acid Formula: C23H32NO3S+ MolecularWeight: 402.57008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CC(CC1C(=O)S)C2=CC=CC=C2)C(=O)C(=O)C3CCCCC3

Isomeric SMILES

CCCC[N+]1(CC(CC1C(=O)S)C2=CC=CC=C2)C(=O)C(=O)C3CCCCC3

InChI

InChI=1S/C23H31NO3S/c1-2-3-14-24(22(26)21(25)18-12-8-5-9-13-18)16-19(15-20(24)23(27)28)17-10-6-4-7-11-17/h4,6-7,10-11,18-20H,2-3,5,8-9,12-16H2,1H3/p+1