1-[(5S)-4-phenyl-5-(phenylmethyl)-5-piperidin-1-ium-1-yl-1,3,4-thiadiazol-2-yl]ethanone

Systemtic Name: 1-[(5S)-4-phenyl-5-(phenylmethyl)-5-piperidin-1-ium-1-yl-1,3,4-thiadiazol-2-yl]ethanone Openeye Name: 1-[(5S)-5-benzyl-4-phenyl-5-piperidin-1-ium-1-yl-1,3,4-thiadiazol-2-yl]ethanone CAS Name: 1-[(5S)-4-phenyl-5-(phenylmethyl)-5-(1-piperidin-1-iumyl)-1,3,4-thiadiazol-2-yl]ethanone IUPAC Name: 1-[(5S)-5-benzyl-4-phenyl-5-piperidin-1-ium-1-yl-1,3,4-thiadiazol-2-yl]ethanone Traditional Name: 1-[(5S)-5-benzyl-4-phenyl-5-piperidin-1-ium-1-yl-1,3,4-thiadiazol-2-yl]ethanone Formula: C22H26N3OS+ MolecularWeight: 380.52634

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NN(C(S1)(CC2=CC=CC=C2)[NH+]3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=NN([C@](S1)(CC2=CC=CC=C2)[NH+]3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N3OS/c1-18(26)21-23-25(20-13-7-3-8-14-20)22(27-21,24-15-9-4-10-16-24)17-19-11-5-2-6-12-19/h2-3,5-8,11-14H,4,9-10,15-17H2,1H3/p+1/t22-/m0/s1