[2-(2-methylpropoxy)-7-methylsulfanyl-quinolin-3-yl]methyl-[(5-methylpyrazin-2-yl)methyl]azanium

Systemtic Name: [2-(2-methylpropoxy)-7-methylsulfanyl-quinolin-3-yl]methyl-[(5-methylpyrazin-2-yl)methyl]azanium Openeye Name: (2-isobutoxy-7-methylsulfanyl-3-quinolyl)methyl-[(5-methylpyrazin-2-yl)methyl]ammonium CAS Name: [2-(2-methylpropoxy)-7-(methylthio)-3-quinolinyl]methyl-[(5-methyl-2-pyrazinyl)methyl]ammonium IUPAC Name: [2-(2-methylpropoxy)-7-methylsulfanylquinolin-3-yl]methyl-[(5-methylpyrazin-2-yl)methyl]azanium Traditional Name: [2-isobutoxy-7-(methylthio)-3-quinolyl]methyl-[(5-methylpyrazin-2-yl)methyl]ammonium Formula: C21H27N4OS+ MolecularWeight: 383.53028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=N1)C[NH2+]CC2=C(N=C3C=C(C=CC3=C2)SC)OCC(C)C

Isomeric SMILES

CC1=CN=C(C=N1)C[NH2+]CC2=C(N=C3C=C(C=CC3=C2)SC)OCC(C)C

InChI

InChI=1S/C21H26N4OS/c1-14(2)13-26-21-17(10-22-11-18-12-23-15(3)9-24-18)7-16-5-6-19(27-4)8-20(16)25-21/h5-9,12,14,22H,10-11,13H2,1-4H3/p+1