4-(4-bromophenyl)sulfanyl-2-(pyrrolidin-1-ium-1-ylmethyl)quinazoline

Systemtic Name: 4-(4-bromophenyl)sulfanyl-2-(pyrrolidin-1-ium-1-ylmethyl)quinazoline Openeye Name: 4-(4-bromophenyl)sulfanyl-2-(pyrrolidin-1-ium-1-ylmethyl)quinazoline CAS Name: 4-[(4-bromophenyl)thio]-2-(1-pyrrolidin-1-iumylmethyl)quinazoline IUPAC Name: 4-(4-bromophenyl)sulfanyl-2-(pyrrolidin-1-ium-1-ylmethyl)quinazoline Traditional Name: 4-[(4-bromophenyl)thio]-2-(pyrrolidin-1-ium-1-ylmethyl)quinazoline Formula: C19H19BrN3S+ MolecularWeight: 401.34326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrN3S/c20-14-7-9-15(10-8-14)24-19-16-5-1-2-6-17(16)21-18(22-19)13-23-11-3-4-12-23/h1-2,5-10H,3-4,11-13H2/p+1