[2-(4-ethanoylpiperazin-1-yl)pyridin-3-yl]methyl-[(3-methylsulfanylphenyl)methyl]azanium

Systemtic Name: [2-(4-ethanoylpiperazin-1-yl)pyridin-3-yl]methyl-[(3-methylsulfanylphenyl)methyl]azanium Openeye Name: [2-(4-acetylpiperazin-1-yl)-3-pyridyl]methyl-[(3-methylsulfanylphenyl)methyl]ammonium CAS Name: [2-(4-acetyl-1-piperazinyl)-3-pyridinyl]methyl-[[3-(methylthio)phenyl]methyl]ammonium IUPAC Name: [2-(4-acetylpiperazin-1-yl)pyridin-3-yl]methyl-[(3-methylsulfanylphenyl)methyl]azanium Traditional Name: [2-(4-acetylpiperazino)-3-pyridyl]methyl-[3-(methylthio)benzyl]ammonium Formula: C20H27N4OS+ MolecularWeight: 371.51958

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=CC=N2)C[NH2+]CC3=CC(=CC=C3)SC

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=CC=N2)C[NH2+]CC3=CC(=CC=C3)SC

InChI

InChI=1S/C20H26N4OS/c1-16(25)23-9-11-24(12-10-23)20-18(6-4-8-22-20)15-21-14-17-5-3-7-19(13-17)26-2/h3-8,13,21H,9-12,14-15H2,1-2H3/p+1