1-[2-[(5-chloranylthiophen-2-yl)methyl-methyl-amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[(5-chloranylthiophen-2-yl)methyl-methyl-amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[(5-chloro-2-thienyl)methyl-methyl-amino]-2-oxo-ethyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[(5-chloro-2-thiophenyl)methyl-methylamino]-2-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[(5-chloro-2-thienyl)methyl-methyl-amino]-2-keto-ethyl]isonipecotic acid Formula: C14H19ClN2O3S MolecularWeight: 330.83026

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(S1)Cl)C(=O)CN2CCC(CC2)C(=O)O

Isomeric SMILES

CN(CC1=CC=C(S1)Cl)C(=O)CN2CCC(CC2)C(=O)O

InChI

InChI=1S/C14H19ClN2O3S/c1-16(8-11-2-3-12(15)21-11)13(18)9-17-6-4-10(5-7-17)14(19)20/h2-3,10H,4-9H2,1H3,(H,19,20)