2-[1-[azanyl(phenyl)methyl]-4-sulfanyl-piperidin-4-yl]ethanoic acid

Systemtic Name: 2-[1-[azanyl(phenyl)methyl]-4-sulfanyl-piperidin-4-yl]ethanoic acid Openeye Name: 2-[1-[amino(phenyl)methyl]-4-sulfanyl-4-piperidyl]acetic acid CAS Name: 2-[1-[amino(phenyl)methyl]-4-mercapto-4-piperidinyl]acetic acid IUPAC Name: 2-[1-[amino(phenyl)methyl]-4-sulfanylpiperidin-4-yl]acetic acid Traditional Name: 2-[1-[amino(phenyl)methyl]-4-mercapto-4-piperidyl]acetic acid Formula: C14H20N2O2S MolecularWeight: 280.3858

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CC(=O)O)S)C(C2=CC=CC=C2)N

Isomeric SMILES

C1CN(CCC1(CC(=O)O)S)C(C2=CC=CC=C2)N

InChI

InChI=1S/C14H20N2O2S/c15-13(11-4-2-1-3-5-11)16-8-6-14(19,7-9-16)10-12(17)18/h1-5,13,19H,6-10,15H2,(H,17,18)