3-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-thioxo-quinazolin-4-olate CAS Name: 3-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-thioxo-quinazolin-4-olate Formula: C19H19N3OS MolecularWeight: 337.43866

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1N2C(=C3C=CC=CC3=NC2=S)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@H]1N2C(=C3C=CC=CC3=NC2=S)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C19H19N3OS/c23-18-16-8-4-5-9-17(16)20-19(24)22(18)15-10-11-21(13-15)12-14-6-2-1-3-7-14/h1-9,15,23H,10-13H2/t15-/m0/s1