2-(4-methoxyphenyl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-1,3-thiazole-4-carboxamide

Systemtic Name: 2-(4-methoxyphenyl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-(4-methoxyphenyl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]thiazole-4-carboxamide CAS Name: 2-(4-methoxyphenyl)-N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]-4-thiazolecarboxamide IUPAC Name: 2-(4-methoxyphenyl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-(4-methoxyphenyl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]thiazole-4-carboxamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=CS2)C(=O)NCC3(CCCCC3)[NH+]4CCOCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=CS2)C(=O)NCC3(CCCCC3)[NH+]4CCOCC4

InChI

InChI=1S/C22H29N3O3S/c1-27-18-7-5-17(6-8-18)21-24-19(15-29-21)20(26)23-16-22(9-3-2-4-10-22)25-11-13-28-14-12-25/h5-8,15H,2-4,9-14,16H2,1H3,(H,23,26)/p+1