1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-3-naphthalen-1-yl-1-propyl-pyrrolidin-1-ium-2-carbothioate

Systemtic Name: 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-3-naphthalen-1-yl-1-propyl-pyrrolidin-1-ium-2-carbothioate Openeye Name: 1-(3,3-dimethyl-2-oxo-pentanoyl)-3-(1-naphthyl)-1-propyl-pyrrolidin-1-ium-2-carbothioate CAS Name: 1-(3,3-dimethyl-1,2-dioxopentyl)-3-(1-naphthalenyl)-1-propyl-2-pyrrolidin-1-iumcarbothioate IUPAC Name: 1-(3,3-dimethyl-2-oxopentanoyl)-3-naphthalen-1-yl-1-propylpyrrolidin-1-ium-2-carbothioate Traditional Name: 1-(2-keto-3,3-dimethyl-pentanoyl)-3-(1-naphthyl)-1-propyl-pyrrolidin-1-ium-2-carbothioate Formula: C25H31NO3S MolecularWeight: 425.58354

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CCC(C1C(=S)[O-])C2=CC=CC3=CC=CC=C32)C(=O)C(=O)C(C)(C)CC

Isomeric SMILES

CCC[N+]1(CCC(C1C(=S)[O-])C2=CC=CC3=CC=CC=C32)C(=O)C(=O)C(C)(C)CC

InChI

InChI=1S/C25H31NO3S/c1-5-15-26(23(28)22(27)25(3,4)6-2)16-14-20(21(26)24(29)30)19-13-9-11-17-10-7-8-12-18(17)19/h7-13,20-21H,5-6,14-16H2,1-4H3