1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidine-2-carboxylic acid hydrochloride

Systemtic Name: 1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidine-2-carboxylic acid hydrochloride Openeye Name: 1-[4,4-bis(3-methyl-2-thienyl)but-3-enyl]piperidine-2-carboxylic acid hydrochloride CAS Name: 1-[4,4-bis(3-methyl-2-thiophenyl)but-3-enyl]-2-piperidinecarboxylic acid hydrochloride IUPAC Name: 1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidine-2-carboxylic acid hydrochloride Traditional Name: 1-[4,4-bis(3-methyl-2-thienyl)but-3-enyl]pipecolinic acid hydrochloride Formula: C20H26ClNO2S2 MolecularWeight: 412.00894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=CCCN2CCCCC2C(=O)O)C3=C(C=CS3)C.Cl

Isomeric SMILES

CC1=C(SC=C1)C(=CCCN2CCCCC2C(=O)O)C3=C(C=CS3)C.Cl

InChI

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