methyl-[(4-methylsulfanylphenyl)methyl]-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]azanium

Systemtic Name: methyl-[(4-methylsulfanylphenyl)methyl]-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]azanium Openeye Name: methyl-[(4-methylsulfanylphenyl)methyl]-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]ammonium CAS Name: methyl-[2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl]-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: methyl-[(4-methylsulfanylphenyl)methyl]-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]azanium Traditional Name: [2-keto-2-(4-mesylpiperazino)ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C16H26N3O3S2+ MolecularWeight: 372.52594

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)SC)CC(=O)N2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)SC)CC(=O)N2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C16H25N3O3S2/c1-17(12-14-4-6-15(23-2)7-5-14)13-16(20)18-8-10-19(11-9-18)24(3,21)22/h4-7H,8-13H2,1-3H3/p+1