[5-(phenoxymethyl)-1H-pyrazol-3-yl]-(4-thiomorpholin-4-ium-4-ylpiperidin-1-yl)methanone

Systemtic Name: [5-(phenoxymethyl)-1H-pyrazol-3-yl]-(4-thiomorpholin-4-ium-4-ylpiperidin-1-yl)methanone Openeye Name: [5-(phenoxymethyl)-1H-pyrazol-3-yl]-(4-thiomorpholin-4-ium-4-yl-1-piperidyl)methanone CAS Name: [5-(phenoxymethyl)-1H-pyrazol-3-yl]-[4-(4-thiomorpholin-4-iumyl)-1-piperidinyl]methanone IUPAC Name: [5-(phenoxymethyl)-1H-pyrazol-3-yl]-(4-thiomorpholin-4-ium-4-ylpiperidin-1-yl)methanone Traditional Name: [5-(phenoxymethyl)-1H-pyrazol-3-yl]-(4-thiomorpholin-4-ium-4-ylpiperidino)methanone Formula: C20H27N4O2S+ MolecularWeight: 387.51898

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH+]2CCSCC2)C(=O)C3=NNC(=C3)COC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1[NH+]2CCSCC2)C(=O)C3=NNC(=C3)COC4=CC=CC=C4

InChI

InChI=1S/C20H26N4O2S/c25-20(24-8-6-17(7-9-24)23-10-12-27-13-11-23)19-14-16(21-22-19)15-26-18-4-2-1-3-5-18/h1-5,14,17H,6-13,15H2,(H,21,22)/p+1