(3-methylsulfanylphenyl)methyl-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]azanium

Systemtic Name: (3-methylsulfanylphenyl)methyl-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]azanium Openeye Name: (3-methylsulfanylphenyl)methyl-[(4S)-1-(2-pyridyl)-4,5,6,7-tetrahydroindazol-4-yl]ammonium CAS Name: [3-(methylthio)phenyl]methyl-[(4S)-1-(2-pyridinyl)-4,5,6,7-tetrahydroindazol-4-yl]ammonium IUPAC Name: (3-methylsulfanylphenyl)methyl-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]azanium Traditional Name: [3-(methylthio)benzyl]-[(4S)-1-(2-pyridyl)-4,5,6,7-tetrahydroindazol-4-yl]ammonium Formula: C20H23N4S+ MolecularWeight: 351.48842

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)C[NH2+]C2CCCC3=C2C=NN3C4=CC=CC=N4

Isomeric SMILES

CSC1=CC=CC(=C1)C[NH2+][C@H]2CCCC3=C2C=NN3C4=CC=CC=N4

InChI

InChI=1S/C20H22N4S/c1-25-16-7-4-6-15(12-16)13-22-18-8-5-9-19-17(18)14-23-24(19)20-10-2-3-11-21-20/h2-4,6-7,10-12,14,18,22H,5,8-9,13H2,1H3/p+1/t18-/m0/s1