4-pyridin-2-ylsulfanyl-2-(pyrrolidin-1-ium-1-ylmethyl)quinazoline

Systemtic Name: 4-pyridin-2-ylsulfanyl-2-(pyrrolidin-1-ium-1-ylmethyl)quinazoline Openeye Name: 4-(2-pyridylsulfanyl)-2-(pyrrolidin-1-ium-1-ylmethyl)quinazoline CAS Name: 4-(2-pyridinylthio)-2-(1-pyrrolidin-1-iumylmethyl)quinazoline IUPAC Name: 4-pyridin-2-ylsulfanyl-2-(pyrrolidin-1-ium-1-ylmethyl)quinazoline Traditional Name: 4-(2-pyridylthio)-2-(pyrrolidin-1-ium-1-ylmethyl)quinazoline Formula: C18H19N4S+ MolecularWeight: 323.43526

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=NC3=CC=CC=C3C(=N2)SC4=CC=CC=N4

Isomeric SMILES

C1CC[NH+](C1)CC2=NC3=CC=CC=C3C(=N2)SC4=CC=CC=N4

InChI

InChI=1S/C18H18N4S/c1-2-8-15-14(7-1)18(23-17-9-3-4-10-19-17)21-16(20-15)13-22-11-5-6-12-22/h1-4,7-10H,5-6,11-13H2/p+1