6-[(3S)-3-aminocarbonylpiperidin-1-yl]-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 6-[(3S)-3-aminocarbonylpiperidin-1-yl]-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]pyridin-1-ium-3-carboxamide Openeye Name: 6-[(3S)-3-carbamoyl-1-piperidyl]-N-[(4-ethylthiazol-2-yl)methyl]pyridin-1-ium-3-carboxamide CAS Name: 6-[(3S)-3-carbamoyl-1-piperidinyl]-N-[(4-ethyl-2-thiazolyl)methyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 6-[(3S)-3-carbamoylpiperidin-1-yl]-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]pyridin-1-ium-3-carboxamide Traditional Name: 6-[(3S)-3-carbamoylpiperidino]-N-[(4-ethylthiazol-2-yl)methyl]pyridin-1-ium-3-carboxamide Formula: C18H24N5O2S+ MolecularWeight: 374.48046

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CSC(=N1)CNC(=O)C2=C[NH+]=C(C=C2)N3CCCC(C3)C(=O)N

Isomeric SMILES

CCC1=CSC(=N1)CNC(=O)C2=C[NH+]=C(C=C2)N3CCC[C@@H](C3)C(=O)N

InChI

InChI=1S/C18H23N5O2S/c1-2-14-11-26-16(22-14)9-21-18(25)12-5-6-15(20-8-12)23-7-3-4-13(10-23)17(19)24/h5-6,8,11,13H,2-4,7,9-10H2,1H3,(H2,19,24)(H,21,25)/p+1/t13-/m0/s1