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

Systemtic Name: N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[(4-oxidanylcyclohexyl)amino]pyridin-1-ium-3-carboxamide Openeye Name: N-[(4-ethylthiazol-2-yl)methyl]-6-[(4-hydroxycyclohexyl)amino]pyridin-1-ium-3-carboxamide CAS Name: N-[(4-ethyl-2-thiazolyl)methyl]-6-[(4-hydroxycyclohexyl)amino]-3-pyridin-1-iumcarboxamide IUPAC Name: N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[(4-hydroxycyclohexyl)amino]pyridin-1-ium-3-carboxamide Traditional Name: N-[(4-ethylthiazol-2-yl)methyl]-6-[(4-hydroxycyclohexyl)amino]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)NC3CCC(CC3)O

Isomeric SMILES

CCC1=CSC(=N1)CNC(=O)C2=C[NH+]=C(C=C2)NC3CCC(CC3)O

InChI

InChI=1S/C18H24N4O2S/c1-2-13-11-25-17(22-13)10-20-18(24)12-3-8-16(19-9-12)21-14-4-6-15(23)7-5-14/h3,8-9,11,14-15,23H,2,4-7,10H2,1H3,(H,19,21)(H,20,24)/p+1