(3-methylsulfanylphenyl)methyl-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]azanium

Systemtic Name: (3-methylsulfanylphenyl)methyl-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]azanium Openeye Name: (3-methylsulfanylphenyl)methyl-[(5S)-2-(3-pyridyl)-5,6,7,8-tetrahydroquinazolin-5-yl]ammonium CAS Name: [3-(methylthio)phenyl]methyl-[(5S)-2-(3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-5-yl]ammonium IUPAC Name: (3-methylsulfanylphenyl)methyl-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]azanium Traditional Name: [3-(methylthio)benzyl]-[(5S)-2-(3-pyridyl)-5,6,7,8-tetrahydroquinazolin-5-yl]ammonium Formula: C21H23N4S+ MolecularWeight: 363.49912

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)C[NH2+]C2CCCC3=NC(=NC=C23)C4=CN=CC=C4

Isomeric SMILES

CSC1=CC=CC(=C1)C[NH2+][C@H]2CCCC3=NC(=NC=C23)C4=CN=CC=C4

InChI

InChI=1S/C21H22N4S/c1-26-17-7-2-5-15(11-17)12-23-19-8-3-9-20-18(19)14-24-21(25-20)16-6-4-10-22-13-16/h2,4-7,10-11,13-14,19,23H,3,8-9,12H2,1H3/p+1/t19-/m0/s1