N-(2-morpholin-4-ium-4-ylethyl)-3-[(2-thiophen-2-ylquinazolin-4-yl)amino]propanamide

Systemtic Name: N-(2-morpholin-4-ium-4-ylethyl)-3-[(2-thiophen-2-ylquinazolin-4-yl)amino]propanamide Openeye Name: N-(2-morpholin-4-ium-4-ylethyl)-3-[[2-(2-thienyl)quinazolin-4-yl]amino]propanamide CAS Name: N-[2-(4-morpholin-4-iumyl)ethyl]-3-[(2-thiophen-2-yl-4-quinazolinyl)amino]propanamide IUPAC Name: N-(2-morpholin-4-ium-4-ylethyl)-3-[(2-thiophen-2-ylquinazolin-4-yl)amino]propanamide Traditional Name: N-(2-morpholin-4-ium-4-ylethyl)-3-[[2-(2-thienyl)quinazolin-4-yl]amino]propionamide Formula: C21H26N5O2S+ MolecularWeight: 412.52844

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=O)CCNC2=NC(=NC3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

C1COCC[NH+]1CCNC(=O)CCNC2=NC(=NC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C21H25N5O2S/c27-19(22-9-10-26-11-13-28-14-12-26)7-8-23-20-16-4-1-2-5-17(16)24-21(25-20)18-6-3-15-29-18/h1-6,15H,7-14H2,(H,22,27)(H,23,24,25)/p+1