4-(furan-2-ylmethylsulfanyl)-2-(pyrrolidin-1-ium-1-ylmethyl)quinazoline

Systemtic Name: 4-(furan-2-ylmethylsulfanyl)-2-(pyrrolidin-1-ium-1-ylmethyl)quinazoline Openeye Name: 4-(2-furylmethylsulfanyl)-2-(pyrrolidin-1-ium-1-ylmethyl)quinazoline CAS Name: 4-(2-furanylmethylthio)-2-(1-pyrrolidin-1-iumylmethyl)quinazoline IUPAC Name: 4-(furan-2-ylmethylsulfanyl)-2-(pyrrolidin-1-ium-1-ylmethyl)quinazoline Traditional Name: 4-(2-furfurylthio)-2-(pyrrolidin-1-ium-1-ylmethyl)quinazoline Formula: C18H20N3OS+ MolecularWeight: 326.4359

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=NC3=CC=CC=C3C(=N2)SCC4=CC=CO4

Isomeric SMILES

C1CC[NH+](C1)CC2=NC3=CC=CC=C3C(=N2)SCC4=CC=CO4

InChI

InChI=1S/C18H19N3OS/c1-2-8-16-15(7-1)18(23-13-14-6-5-11-22-14)20-17(19-16)12-21-9-3-4-10-21/h1-2,5-8,11H,3-4,9-10,12-13H2/p+1