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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC=N1)C2=CC=CS2.C=NOCCN1CCCC(C1)C(=O)O

Isomeric SMILES

CN1C(=NC=N1)C2=CC=CS2.C=NOCCN1CCCC(C1)C(=O)O

InChI

InChI=1S/C9H16N2O3.C7H7N3S/c1-10-14-6-5-11-4-2-3-8(7-11)9(12)13;1-10-7(8-5-9-10)6-3-2-4-11-6/h8H,1-7H2,(H,12,13);2-5H,1H3