1-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-phenylsulfanyl-ethanone

Systemtic Name: 1-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-phenylsulfanyl-ethanone Openeye Name: 1-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-phenylsulfanyl-ethanone CAS Name: 1-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(phenylthio)ethanone IUPAC Name: 1-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-phenylsulfanylethanone Traditional Name: 1-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(phenylthio)ethanone Formula: C14H21N2OS+ MolecularWeight: 265.39434

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)CSC2=CC=CC=C2

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)CSC2=CC=CC=C2

InChI

InChI=1S/C14H20N2OS/c1-15-8-5-9-16(11-10-15)14(17)12-18-13-6-3-2-4-7-13/h2-4,6-7H,5,8-12H2,1H3/p+1