N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[[(3R)-oxan-3-yl]methylamino]pyridin-1-ium-3-carboxamide

Systemtic Name: N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[[(3R)-oxan-3-yl]methylamino]pyridin-1-ium-3-carboxamide Openeye Name: N-[(4-ethylthiazol-2-yl)methyl]-6-[[(3R)-tetrahydropyran-3-yl]methylamino]pyridin-1-ium-3-carboxamide CAS Name: N-[(4-ethyl-2-thiazolyl)methyl]-6-[[(3R)-3-oxanyl]methylamino]-3-pyridin-1-iumcarboxamide IUPAC Name: N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[[(3R)-oxan-3-yl]methylamino]pyridin-1-ium-3-carboxamide Traditional Name: N-[(4-ethylthiazol-2-yl)methyl]-6-[[(3R)-tetrahydropyran-3-yl]methylamino]pyridin-1-ium-3-carboxamide Formula: C18H25N4O2S+ MolecularWeight: 361.4817

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CSC(=N1)CNC(=O)C2=C[NH+]=C(C=C2)NCC3CCCOC3

Isomeric SMILES

CCC1=CSC(=N1)CNC(=O)C2=C[NH+]=C(C=C2)NC[C@H]3CCCOC3

InChI

InChI=1S/C18H24N4O2S/c1-2-15-12-25-17(22-15)10-21-18(23)14-5-6-16(20-9-14)19-8-13-4-3-7-24-11-13/h5-6,9,12-13H,2-4,7-8,10-11H2,1H3,(H,19,20)(H,21,23)/p+1/t13-/m1/s1