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

Systemtic Name: 4-phenylsulfanyl-2-(pyrrolidin-1-ium-1-ylmethyl)quinazoline Openeye Name: 4-phenylsulfanyl-2-(pyrrolidin-1-ium-1-ylmethyl)quinazoline CAS Name: 4-(phenylthio)-2-(1-pyrrolidin-1-iumylmethyl)quinazoline IUPAC Name: 4-phenylsulfanyl-2-(pyrrolidin-1-ium-1-ylmethyl)quinazoline Traditional Name: 4-(phenylthio)-2-(pyrrolidin-1-ium-1-ylmethyl)quinazoline Formula: C19H20N3S+ MolecularWeight: 322.4472

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=NC3=CC=CC=C3C(=N2)SC4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)CC2=NC3=CC=CC=C3C(=N2)SC4=CC=CC=C4

InChI

InChI=1S/C19H19N3S/c1-2-8-15(9-3-1)23-19-16-10-4-5-11-17(16)20-18(21-19)14-22-12-6-7-13-22/h1-5,8-11H,6-7,12-14H2/p+1