N-[4-(5-cyclohexyl-2-methoxy-phenyl)-1,3-thiazol-2-yl]-1-(1-oxidanidylpyridin-1-ium-2-yl)carbonyl-piperidine-3-carboxamide

Systemtic Name: N-[4-(5-cyclohexyl-2-methoxy-phenyl)-1,3-thiazol-2-yl]-1-(1-oxidanidylpyridin-1-ium-2-yl)carbonyl-piperidine-3-carboxamide Openeye Name: N-[4-(5-cyclohexyl-2-methoxy-phenyl)thiazol-2-yl]-1-(1-oxidopyridin-1-ium-2-carbonyl)piperidine-3-carboxamide CAS Name: N-[4-(5-cyclohexyl-2-methoxyphenyl)-2-thiazolyl]-1-[(1-oxido-2-pyridin-1-iumyl)-oxomethyl]-3-piperidinecarboxamide IUPAC Name: N-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-(1-oxidopyridin-1-ium-2-carbonyl)piperidine-3-carboxamide Traditional Name: N-[4-(5-cyclohexyl-2-methoxy-phenyl)thiazol-2-yl]-1-(1-oxidopyridin-1-ium-2-carbonyl)nipecotamide Formula: C28H32N4O4S MolecularWeight: 520.64308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CCCCC2)C3=CSC(=N3)NC(=O)C4CCCN(C4)C(=O)C5=CC=CC=[N+]5[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2CCCCC2)C3=CSC(=N3)NC(=O)C4CCCN(C4)C(=O)C5=CC=CC=[N+]5[O-]

InChI

InChI=1S/C28H32N4O4S/c1-36-25-13-12-20(19-8-3-2-4-9-19)16-22(25)23-18-37-28(29-23)30-26(33)21-10-7-14-31(17-21)27(34)24-11-5-6-15-32(24)35/h5-6,11-13,15-16,18-19,21H,2-4,7-10,14,17H2,1H3,(H,29,30,33)