4-ethyl-1-[(4-methylsulfanylphenyl)methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-ethyl-1-[(4-methylsulfanylphenyl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-ethyl-1-[(4-methylsulfanylphenyl)methyl]-1,4-diazepan-1-ium-5-one CAS Name: 4-ethyl-1-[[4-(methylthio)phenyl]methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-ethyl-1-[(4-methylsulfanylphenyl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-ethyl-1-[4-(methylthio)benzyl]-1,4-diazepan-1-ium-5-one Formula: C15H23N2OS+ MolecularWeight: 279.42092

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CCC1=O)CC2=CC=C(C=C2)SC

Isomeric SMILES

CCN1CC[NH+](CCC1=O)CC2=CC=C(C=C2)SC

InChI

InChI=1S/C15H22N2OS/c1-3-17-11-10-16(9-8-15(17)18)12-13-4-6-14(19-2)7-5-13/h4-7H,3,8-12H2,1-2H3/p+1