(2-methylsulfanylpyridin-3-yl)-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]methanone

Systemtic Name: (2-methylsulfanylpyridin-3-yl)-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-4-ium-1-yl)-(2-methylsulfanyl-3-pyridyl)methanone CAS Name: [2-(methylthio)-3-pyridinyl]-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-4-ium-1-yl)-(2-methylsulfanylpyridin-3-yl)methanone Traditional Name: (4-benzyl-1,4-diazepan-4-ium-1-yl)-[2-(methylthio)-3-pyridyl]methanone Formula: C19H24N3OS+ MolecularWeight: 342.47836

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)N2CCC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)N2CCC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H23N3OS/c1-24-18-17(9-5-10-20-18)19(23)22-12-6-11-21(13-14-22)15-16-7-3-2-4-8-16/h2-5,7-10H,6,11-15H2,1H3/p+1