2-(1-methylimidazol-2-yl)sulfanylethyl-[1-[4-(pyrazin-2-ylcarbonylamino)phenyl]piperidin-4-yl]azanium

Systemtic Name: 2-(1-methylimidazol-2-yl)sulfanylethyl-[1-[4-(pyrazin-2-ylcarbonylamino)phenyl]piperidin-4-yl]azanium Openeye Name: 2-(1-methylimidazol-2-yl)sulfanylethyl-[1-[4-(pyrazine-2-carbonylamino)phenyl]-4-piperidyl]ammonium CAS Name: 2-[(1-methyl-2-imidazolyl)thio]ethyl-[1-[4-[[oxo(2-pyrazinyl)methyl]amino]phenyl]-4-piperidinyl]ammonium IUPAC Name: 2-(1-methylimidazol-2-yl)sulfanylethyl-[1-[4-(pyrazine-2-carbonylamino)phenyl]piperidin-4-yl]azanium Traditional Name: 2-[(1-methylimidazol-2-yl)thio]ethyl-[1-[4-(pyrazinoylamino)phenyl]-4-piperidyl]ammonium Formula: C22H28N7OS+ MolecularWeight: 438.56902

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC[NH2+]C2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=NC=CN=C4

Isomeric SMILES

CN1C=CN=C1SCC[NH2+]C2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=NC=CN=C4

InChI

InChI=1S/C22H27N7OS/c1-28-14-10-26-22(28)31-15-11-24-17-6-12-29(13-7-17)19-4-2-18(3-5-19)27-21(30)20-16-23-8-9-25-20/h2-5,8-10,14,16-17,24H,6-7,11-13,15H2,1H3,(H,27,30)/p+1