(2R)-2-(4-chlorophenyl)-2-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: (2R)-2-(4-chlorophenyl)-2-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: (2R)-2-(4-chlorophenyl)-2-[4-[2-(2-thienyl)quinazolin-4-yl]piperazin-1-ium-1-yl]acetamide CAS Name: (2R)-2-(4-chlorophenyl)-2-[4-(2-thiophen-2-yl-4-quinazolinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: (2R)-2-(4-chlorophenyl)-2-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: (2R)-2-(4-chlorophenyl)-2-[4-[2-(2-thienyl)quinazolin-4-yl]piperazin-1-ium-1-yl]acetamide Formula: C24H23ClN5OS+ MolecularWeight: 464.99032

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=C(C=C2)Cl)C(=O)N)C3=NC(=NC4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CC=C(C=C2)Cl)C(=O)N)C3=NC(=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C24H22ClN5OS/c25-17-9-7-16(8-10-17)21(22(26)31)29-11-13-30(14-12-29)24-18-4-1-2-5-19(18)27-23(28-24)20-6-3-15-32-20/h1-10,15,21H,11-14H2,(H2,26,31)/p+1/t21-/m1/s1