2-butylsulfanyl-1-ethyl-6-oxidanyl-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidin-4-one

Systemtic Name: 2-butylsulfanyl-1-ethyl-6-oxidanyl-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidin-4-one Openeye Name: 2-butylsulfanyl-1-ethyl-6-hydroxy-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidin-4-one CAS Name: 2-(butylthio)-1-ethyl-6-hydroxy-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-4-pyrimidinone IUPAC Name: 2-butylsulfanyl-1-ethyl-6-hydroxy-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidin-4-one Traditional Name: 2-(butylthio)-1-ethyl-6-hydroxy-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidin-4-one Formula: C19H26N3O2S+ MolecularWeight: 360.49364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=O)C(=C(N1CC)O)C2C3=CC=CC=C3CC[NH2+]2

Isomeric SMILES

CCCCSC1=NC(=O)C(=C(N1CC)O)[C@@H]2C3=CC=CC=C3CC[NH2+]2

InChI

InChI=1S/C19H25N3O2S/c1-3-5-12-25-19-21-17(23)15(18(24)22(19)4-2)16-14-9-7-6-8-13(14)10-11-20-16/h6-9,16,20,24H,3-5,10-12H2,1-2H3/p+1/t16-/m0/s1