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

Systemtic Name: N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyridin-1-ium-3-carboxamide Openeye Name: N-[(4-ethylthiazol-2-yl)methyl]-6-[(2S)-2-(2-pyridyl)pyrrolidin-1-yl]pyridin-1-ium-3-carboxamide CAS Name: N-[(4-ethyl-2-thiazolyl)methyl]-6-[(2S)-2-(2-pyridinyl)-1-pyrrolidinyl]-3-pyridin-1-iumcarboxamide IUPAC Name: N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyridin-1-ium-3-carboxamide Traditional Name: N-[(4-ethylthiazol-2-yl)methyl]-6-[(2S)-2-(2-pyridyl)pyrrolidino]pyridin-1-ium-3-carboxamide Formula: C21H24N5OS+ MolecularWeight: 394.51316

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CSC(=N1)CNC(=O)C2=C[NH+]=C(C=C2)N3CCCC3C4=CC=CC=N4

Isomeric SMILES

CCC1=CSC(=N1)CNC(=O)C2=C[NH+]=C(C=C2)N3CCC[C@H]3C4=CC=CC=N4

InChI

InChI=1S/C21H23N5OS/c1-2-16-14-28-20(25-16)13-24-21(27)15-8-9-19(23-12-15)26-11-5-7-18(26)17-6-3-4-10-22-17/h3-4,6,8-10,12,14,18H,2,5,7,11,13H2,1H3,(H,24,27)/p+1/t18-/m0/s1