2-(pyrrolidin-1-ium-1-ylmethyl)quinazoline-4-thiolate

Systemtic Name: 2-(pyrrolidin-1-ium-1-ylmethyl)quinazoline-4-thiolate Openeye Name: 2-(pyrrolidin-1-ium-1-ylmethyl)quinazoline-4-thiolate CAS Name: 2-(1-pyrrolidin-1-iumylmethyl)-4-quinazolinethiolate IUPAC Name: 2-(pyrrolidin-1-ium-1-ylmethyl)quinazoline-4-thiolate Traditional Name: 2-(pyrrolidin-1-ium-1-ylmethyl)quinazoline-4-thiolate Formula: C13H15N3S MolecularWeight: 245.3433

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=NC3=CC=CC=C3C(=N2)[S-]

Isomeric SMILES

C1CC[NH+](C1)CC2=NC3=CC=CC=C3C(=N2)[S-]

InChI

InChI=1S/C13H15N3S/c17-13-10-5-1-2-6-11(10)14-12(15-13)9-16-7-3-4-8-16/h1-2,5-6H,3-4,7-9H2,(H,14,15,17)