1-(2-methoxyphenyl)-1-(1-methylsulfanylethyl)-4-(1-pyridin-2-ylethyl)piperazin-1-ium

Systemtic Name: 1-(2-methoxyphenyl)-1-(1-methylsulfanylethyl)-4-(1-pyridin-2-ylethyl)piperazin-1-ium Openeye Name: 1-(2-methoxyphenyl)-1-(1-methylsulfanylethyl)-4-[1-(2-pyridyl)ethyl]piperazin-1-ium CAS Name: 1-(2-methoxyphenyl)-1-[1-(methylthio)ethyl]-4-[1-(2-pyridinyl)ethyl]piperazin-1-ium IUPAC Name: 1-(2-methoxyphenyl)-1-(1-methylsulfanylethyl)-4-(1-pyridin-2-ylethyl)piperazin-1-ium Traditional Name: 1-(2-methoxyphenyl)-1-[1-(methylthio)ethyl]-4-[1-(2-pyridyl)ethyl]piperazin-1-ium Formula: C21H30N3OS+ MolecularWeight: 372.5474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=N1)N2CC[N+](CC2)(C3=CC=CC=C3OC)C(C)SC

Isomeric SMILES

CC(C1=CC=CC=N1)N2CC[N+](CC2)(C3=CC=CC=C3OC)C(C)SC

InChI

InChI=1S/C21H30N3OS/c1-17(19-9-7-8-12-22-19)23-13-15-24(16-14-23,18(2)26-4)20-10-5-6-11-21(20)25-3/h5-12,17-18H,13-16H2,1-4H3/q+1