3-(dithiophen-2-ylmethylidene)-1-methyl-piperidin-1-ium; 2-(4-hydroxyphenyl)carbonylbenzoate

Systemtic Name: 3-(dithiophen-2-ylmethylidene)-1-methyl-piperidin-1-ium; 2-(4-hydroxyphenyl)carbonylbenzoate Openeye Name: 3-[bis(2-thienyl)methylene]-1-methyl-piperidin-1-ium; 2-(4-hydroxybenzoyl)benzoate CAS Name: 3-(dithiophen-2-ylmethylidene)-1-methylpiperidin-1-ium; 2-[(4-hydroxyphenyl)-oxomethyl]benzoate IUPAC Name: 3-(dithiophen-2-ylmethylidene)-1-methylpiperidin-1-ium; 2-(4-hydroxybenzoyl)benzoate Traditional Name: 3-[bis(2-thienyl)methylene]-1-methyl-piperidin-1-ium; 2-(4-hydroxybenzoyl)benzoate Formula: C29H27NO4S2 MolecularWeight: 517.65898

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(=C(C2=CC=CS2)C3=CC=CS3)C1.C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)O)C(=O)[O-]

Isomeric SMILES

C[NH+]1CCCC(=C(C2=CC=CS2)C3=CC=CS3)C1.C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)O)C(=O)[O-]

InChI

InChI=1S/C15H17NS2.C14H10O4/c1-16-8-2-5-12(11-16)15(13-6-3-9-17-13)14-7-4-10-18-14;15-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)14(17)18/h3-4,6-7,9-10H,2,5,8,11H2,1H3;1-8,15H,(H,17,18)