[2-(2-methylpropoxy)-7-methylsulfanyl-quinolin-3-yl]methyl-(pyridin-4-ylmethyl)azanium

Systemtic Name: [2-(2-methylpropoxy)-7-methylsulfanyl-quinolin-3-yl]methyl-(pyridin-4-ylmethyl)azanium Openeye Name: (2-isobutoxy-7-methylsulfanyl-3-quinolyl)methyl-(4-pyridylmethyl)ammonium CAS Name: [2-(2-methylpropoxy)-7-(methylthio)-3-quinolinyl]methyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: [2-(2-methylpropoxy)-7-methylsulfanylquinolin-3-yl]methyl-(pyridin-4-ylmethyl)azanium Traditional Name: [2-isobutoxy-7-(methylthio)-3-quinolyl]methyl-(4-pyridylmethyl)ammonium Formula: C21H26N3OS+ MolecularWeight: 368.51564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C2C=CC(=CC2=N1)SC)C[NH2+]CC3=CC=NC=C3

Isomeric SMILES

CC(C)COC1=C(C=C2C=CC(=CC2=N1)SC)C[NH2+]CC3=CC=NC=C3

InChI

InChI=1S/C21H25N3OS/c1-15(2)14-25-21-18(13-23-12-16-6-8-22-9-7-16)10-17-4-5-19(26-3)11-20(17)24-21/h4-11,15,23H,12-14H2,1-3H3/p+1