(4S)-4-methylsulfanyl-2-phenyl-1,4,5,6,7,8-hexahydroquinazolin-3-ium

Systemtic Name: (4S)-4-methylsulfanyl-2-phenyl-1,4,5,6,7,8-hexahydroquinazolin-3-ium Openeye Name: (4S)-4-methylsulfanyl-2-phenyl-1,4,5,6,7,8-hexahydroquinazolin-3-ium CAS Name: (4S)-4-(methylthio)-2-phenyl-1,4,5,6,7,8-hexahydroquinazolin-3-ium IUPAC Name: (4S)-4-methylsulfanyl-2-phenyl-1,4,5,6,7,8-hexahydroquinazolin-3-ium Traditional Name: (4S)-4-(methylthio)-2-phenyl-1,4,5,6,7,8-hexahydroquinazolin-3-ium Formula: C15H19N2S+ MolecularWeight: 259.38976

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Descriptors Computed from Structure

Canonical SMILES:

CSC1C2=C(CCCC2)NC(=[NH+]1)C3=CC=CC=C3

Isomeric SMILES

CS[C@H]1C2=C(CCCC2)NC(=[NH+]1)C3=CC=CC=C3

InChI

InChI=1S/C15H18N2S/c1-18-15-12-9-5-6-10-13(12)16-14(17-15)11-7-3-2-4-8-11/h2-4,7-8,15H,5-6,9-10H2,1H3,(H,16,17)/p+1/t15-/m0/s1