2-[[5-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[[5-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[5-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[5-(4-morpholin-4-iumylmethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[5-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[5-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone Formula: C19H26N5O2S+ MolecularWeight: 388.50704

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C[NH+]4CCOCC4

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C[NH+]4CCOCC4

InChI

InChI=1S/C19H25N5O2S/c25-18(23-8-4-5-9-23)15-27-19-21-20-17(14-22-10-12-26-13-11-22)24(19)16-6-2-1-3-7-16/h1-3,6-7H,4-5,8-15H2/p+1