(3S)-1-[(Z)-4-(2,6-dimethylphenyl)-4-(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid chloride

Systemtic Name: (3S)-1-[(Z)-4-(2,6-dimethylphenyl)-4-(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid chloride Openeye Name: (3S)-1-[(Z)-4-(2,6-dimethylphenyl)-4-(3-methyl-2-thienyl)but-3-enyl]piperidine-3-carboxylic acid chloride CAS Name: (3S)-1-[(Z)-4-(2,6-dimethylphenyl)-4-(3-methyl-2-thiophenyl)but-3-enyl]-3-piperidinecarboxylic acid chloride IUPAC Name: (3S)-1-[(Z)-4-(2,6-dimethylphenyl)-4-(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid chloride Traditional Name: (3S)-1-[(Z)-4-(2,6-dimethylphenyl)-4-(3-methyl-2-thienyl)but-3-enyl]nipecotic acid chloride Formula: C23H29ClNO2S- MolecularWeight: 418.99986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)C(=CCCN2CCCC(C2)C(=O)O)C3=C(C=CS3)C.[Cl-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)/C(=C/CCN2CCC[C@@H](C2)C(=O)O)/C3=C(C=CS3)C.[Cl-]

InChI

InChI=1S/C23H29NO2S.ClH/c1-16-7-4-8-17(2)21(16)20(22-18(3)11-14-27-22)10-6-13-24-12-5-9-19(15-24)23(25)26;/h4,7-8,10-11,14,19H,5-6,9,12-13,15H2,1-3H3,(H,25,26);1H/p-1/b20-10-;/t19-;/m0./s1