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

Systemtic Name: N-[4-(5-cyclohexyl-2-methoxy-phenyl)-1,3-thiazol-2-yl]-1-(1-oxidanidylpyridin-1-ium-2-yl)carbonyl-pyrrolidine-3-carboxamide Openeye Name: N-[4-(5-cyclohexyl-2-methoxy-phenyl)thiazol-2-yl]-1-(1-oxidopyridin-1-ium-2-carbonyl)pyrrolidine-3-carboxamide CAS Name: N-[4-(5-cyclohexyl-2-methoxyphenyl)-2-thiazolyl]-1-[(1-oxido-2-pyridin-1-iumyl)-oxomethyl]-3-pyrrolidinecarboxamide IUPAC Name: N-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-(1-oxidopyridin-1-ium-2-carbonyl)pyrrolidine-3-carboxamide Traditional Name: N-[4-(5-cyclohexyl-2-methoxy-phenyl)thiazol-2-yl]-1-(1-oxidopyridin-1-ium-2-carbonyl)pyrrolidine-3-carboxamide Formula: C27H30N4O4S MolecularWeight: 506.6165

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CCCCC2)C3=CSC(=N3)NC(=O)C4CCN(C4)C(=O)C5=CC=CC=[N+]5[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2CCCCC2)C3=CSC(=N3)NC(=O)C4CCN(C4)C(=O)C5=CC=CC=[N+]5[O-]

InChI

InChI=1S/C27H30N4O4S/c1-35-24-11-10-19(18-7-3-2-4-8-18)15-21(24)22-17-36-27(28-22)29-25(32)20-12-14-30(16-20)26(33)23-9-5-6-13-31(23)34/h5-6,9-11,13,15,17-18,20H,2-4,7-8,12,14,16H2,1H3,(H,28,29,32)