N,N-diethyl-2-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N,N-diethyl-2-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N,N-diethyl-2-[4-[2-(2-thienyl)quinazolin-4-yl]piperazin-1-ium-1-yl]acetamide CAS Name: N,N-diethyl-2-[4-(2-thiophen-2-yl-4-quinazolinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N,N-diethyl-2-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N,N-diethyl-2-[4-[2-(2-thienyl)quinazolin-4-yl]piperazin-1-ium-1-yl]acetamide Formula: C22H28N5OS+ MolecularWeight: 410.55562

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C[NH+]1CCN(CC1)C2=NC(=NC3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

CCN(CC)C(=O)C[NH+]1CCN(CC1)C2=NC(=NC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C22H27N5OS/c1-3-26(4-2)20(28)16-25-11-13-27(14-12-25)22-17-8-5-6-9-18(17)23-21(24-22)19-10-7-15-29-19/h5-10,15H,3-4,11-14,16H2,1-2H3/p+1