1-[(2S)-1-ethylpiperidin-1-ium-2-yl]carbonyl-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-[(2S)-1-ethylpiperidin-1-ium-2-yl]carbonyl-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-4-carboxamide Openeye Name: 1-[(2S)-1-ethylpiperidin-1-ium-2-carbonyl]-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-4-carboxamide CAS Name: 1-[[(2S)-1-ethyl-2-piperidin-1-iumyl]-oxomethyl]-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-[(2S)-1-ethylpiperidin-1-ium-2-carbonyl]-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-4-carboxamide Traditional Name: 1-[(2S)-1-ethylpiperidin-1-ium-2-carbonyl]-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]isonipecotamide Formula: C23H32N5O2S+ MolecularWeight: 442.59748

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCCC1C(=O)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=NN=C(S4)C

Isomeric SMILES

CC[NH+]1CCCC[C@H]1C(=O)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=NN=C(S4)C

InChI

InChI=1S/C23H31N5O2S/c1-3-27-12-5-4-9-20(27)23(30)28-13-10-17(11-14-28)21(29)24-19-8-6-7-18(15-19)22-26-25-16(2)31-22/h6-8,15,17,20H,3-5,9-14H2,1-2H3,(H,24,29)/p+1/t20-/m0/s1