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

Systemtic Name: 1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]-1-methyl-piperidin-1-ium-3-carboxylic acid Openeye Name: 1-[4,4-bis(3-methyl-2-thienyl)but-3-enyl]-1-methyl-piperidin-1-ium-3-carboxylic acid CAS Name: 1-[4,4-bis(3-methyl-2-thiophenyl)but-3-enyl]-1-methyl-3-piperidin-1-iumcarboxylic acid IUPAC Name: 1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]-1-methylpiperidin-1-ium-3-carboxylic acid Traditional Name: 1-[4,4-bis(3-methyl-2-thienyl)but-3-enyl]-1-methyl-piperidin-1-ium-3-carboxylic acid Formula: C21H28NO2S2+ MolecularWeight: 390.58252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO2S2/c1-15-8-12-25-19(15)18(20-16(2)9-13-26-20)7-5-11-22(3)10-4-6-17(14-22)21(23)24/h7-9,12-13,17H,4-6,10-11,14H2,1-3H3/p+1