[4-[(4-phenylazanylquinazolin-2-yl)methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[(4-phenylazanylquinazolin-2-yl)methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[(4-anilinoquinazolin-2-yl)methyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone CAS Name: [4-[(4-anilino-2-quinazolinyl)methyl]-1-piperazin-4-iumyl]-thiophen-2-ylmethanone IUPAC Name: [4-[(4-anilinoquinazolin-2-yl)methyl]piperazin-4-ium-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[(4-anilinoquinazolin-2-yl)methyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone Formula: C24H24N5OS+ MolecularWeight: 430.54526

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3C(=N2)NC4=CC=CC=C4)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3C(=N2)NC4=CC=CC=C4)C(=O)C5=CC=CS5

InChI

InChI=1S/C24H23N5OS/c30-24(21-11-6-16-31-21)29-14-12-28(13-15-29)17-22-26-20-10-5-4-9-19(20)23(27-22)25-18-7-2-1-3-8-18/h1-11,16H,12-15,17H2,(H,25,26,27)/p+1