1-(3-bromanyl-4-methyl-thiophen-2-yl)-2-methanoyl-piperidin-1-ium-1-carboxylic acid

Systemtic Name: 1-(3-bromanyl-4-methyl-thiophen-2-yl)-2-methanoyl-piperidin-1-ium-1-carboxylic acid Openeye Name: 1-(3-bromo-4-methyl-2-thienyl)-2-formyl-piperidin-1-ium-1-carboxylic acid CAS Name: 1-(3-bromo-4-methyl-2-thiophenyl)-2-formyl-1-piperidin-1-iumcarboxylic acid IUPAC Name: 1-(3-bromo-4-methylthiophen-2-yl)-2-formylpiperidin-1-ium-1-carboxylic acid Traditional Name: 1-(3-bromo-4-methyl-2-thienyl)-2-formyl-piperidin-1-ium-1-carboxylic acid Formula: C12H15BrNO3S+ MolecularWeight: 333.2214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1Br)[N+]2(CCCCC2C=O)C(=O)O

Isomeric SMILES

CC1=CSC(=C1Br)[N+]2(CCCCC2C=O)C(=O)O

InChI

InChI=1S/C12H14BrNO3S/c1-8-7-18-11(10(8)13)14(12(16)17)5-3-2-4-9(14)6-15/h6-7,9H,2-5H2,1H3/p+1