2-[1-(methylideneamino)oxyethyl]piperidine-3-carboxylic acid; 1-methyl-5-thiophen-2-yl-1,2,4-triazole

Systemtic Name: 2-[1-(methylideneamino)oxyethyl]piperidine-3-carboxylic acid; 1-methyl-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 2-[1-(methyleneamino)oxyethyl]piperidine-3-carboxylic acid; 1-methyl-5-(2-thienyl)-1,2,4-triazole CAS Name: 2-[1-(methyleneamino)oxyethyl]-3-piperidinecarboxylic acid; 1-methyl-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 2-[1-(methylideneamino)oxyethyl]piperidine-3-carboxylic acid; 1-methyl-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 2-[1-(methyleneamino)oxyethyl]nipecotic acid; 1-methyl-5-(2-thienyl)-1,2,4-triazole Formula: C16H23N5O3S MolecularWeight: 365.45052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1C(CCCN1)C(=O)O)ON=C.CN1C(=NC=N1)C2=CC=CS2

Isomeric SMILES

CC(C1C(CCCN1)C(=O)O)ON=C.CN1C(=NC=N1)C2=CC=CS2

InChI

InChI=1S/C9H16N2O3.C7H7N3S/c1-6(14-10-2)8-7(9(12)13)4-3-5-11-8;1-10-7(8-5-9-10)6-3-2-4-11-6/h6-8,11H,2-5H2,1H3,(H,12,13);2-5H,1H3