(4-methyl-1,4-diazepan-4-ium-1-yl)-[4-(methylsulfanylmethyl)phenyl]methanone

Systemtic Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-[4-(methylsulfanylmethyl)phenyl]methanone Openeye Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-[4-(methylsulfanylmethyl)phenyl]methanone CAS Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-[4-[(methylthio)methyl]phenyl]methanone IUPAC Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-[4-(methylsulfanylmethyl)phenyl]methanone Traditional Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-[4-[(methylthio)methyl]phenyl]methanone Formula: C15H23N2OS+ MolecularWeight: 279.42092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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