1-[5-[2-(diethylaminomethyl)pyrrol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-3-carboxylic acid

Systemtic Name: 1-[5-[2-(diethylaminomethyl)pyrrol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-3-carboxylic acid Openeye Name: 1-[5-[2-(diethylaminomethyl)pyrrol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-3-carboxylic acid CAS Name: 1-[5-[2-(diethylaminomethyl)-1-pyrrolyl]-1,3,4-thiadiazol-2-yl]-3-piperidinecarboxylic acid IUPAC Name: 1-[5-[2-(diethylaminomethyl)pyrrol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-3-carboxylic acid Traditional Name: 1-[5-[2-(diethylaminomethyl)pyrrol-1-yl]-1,3,4-thiadiazol-2-yl]nipecotic acid Formula: C17H25N5O2S MolecularWeight: 363.4777

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=CN1C2=NN=C(S2)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCN(CC)CC1=CC=CN1C2=NN=C(S2)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C17H25N5O2S/c1-3-20(4-2)12-14-8-6-10-22(14)17-19-18-16(25-17)21-9-5-7-13(11-21)15(23)24/h6,8,10,13H,3-5,7,9,11-12H2,1-2H3,(H,23,24)