(3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidin-1-ium-3-carboxylic acid

Systemtic Name: (3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidin-1-ium-3-carboxylic acid Openeye Name: (3R)-1-[4,4-bis(3-methyl-2-thienyl)but-3-enyl]piperidin-1-ium-3-carboxylic acid CAS Name: (3R)-1-[4,4-bis(3-methyl-2-thiophenyl)but-3-enyl]-3-piperidin-1-iumcarboxylic acid IUPAC Name: (3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidin-1-ium-3-carboxylic acid Traditional Name: (3R)-1-[4,4-bis(3-methyl-2-thienyl)but-3-enyl]piperidin-1-ium-3-carboxylic acid Formula: C20H26NO2S2+ MolecularWeight: 376.55594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=CCC[NH+]2CCCC(C2)C(=O)O)C3=C(C=CS3)C

Isomeric SMILES

CC1=C(SC=C1)C(=CCC[NH+]2CCC[C@H](C2)C(=O)O)C3=C(C=CS3)C

InChI

InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/p+1/t16-/m1/s1