N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-2-quinazolin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]-2-(4-quinazolinylthio)acetamide IUPAC Name: N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-2-(quinazolin-4-ylthio)acetamide Formula: C21H23N4OS+ MolecularWeight: 379.49852

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)NC(=O)CSC3=NC=NC4=CC=CC=C43

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)NC(=O)CSC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C21H22N4OS/c26-20(14-27-21-18-5-1-2-6-19(18)22-15-23-21)24-17-9-7-16(8-10-17)13-25-11-3-4-12-25/h1-2,5-10,15H,3-4,11-14H2,(H,24,26)/p+1