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

Systemtic Name: [2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: [2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]-methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: [2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [2-keto-2-[4-(2-methoxyphenyl)piperazino]ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C22H30N3O2S+ MolecularWeight: 400.5575

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)SC)CC(=O)N2CCN(CC2)C3=CC=CC=C3OC

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)SC)CC(=O)N2CCN(CC2)C3=CC=CC=C3OC

InChI

InChI=1S/C22H29N3O2S/c1-23(16-18-8-10-19(28-3)11-9-18)17-22(26)25-14-12-24(13-15-25)20-6-4-5-7-21(20)27-2/h4-11H,12-17H2,1-3H3/p+1