N-(2-methylsulfanylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: N-(2-methylsulfanylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-(2-methylsulfanylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: N-[2-(methylthio)phenyl]-3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(2-methylsulfanylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-[2-(methylthio)phenyl]-3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propionamide Formula: C18H24N5OS+ MolecularWeight: 358.48106

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)CC[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)CC[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C18H23N5OS/c1-25-16-6-3-2-5-15(16)21-17(24)7-10-22-11-13-23(14-12-22)18-19-8-4-9-20-18/h2-6,8-9H,7,10-14H2,1H3,(H,21,24)/p+1