(2S)-N-cyclopropyl-2-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-cyclopropyl-2-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-cyclopropyl-2-[4-[2-(3-thienyl)quinazolin-4-yl]piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-cyclopropyl-2-[4-[2-(3-thiophenyl)-4-quinazolinyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-cyclopropyl-2-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-cyclopropyl-2-[4-[2-(3-thienyl)quinazolin-4-yl]piperazin-1-ium-1-yl]propionamide Formula: C22H26N5OS+ MolecularWeight: 408.53974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)[NH+]2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CSC=C5

Isomeric SMILES

C[C@@H](C(=O)NC1CC1)[NH+]2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CSC=C5

InChI

InChI=1S/C22H25N5OS/c1-15(22(28)23-17-6-7-17)26-9-11-27(12-10-26)21-18-4-2-3-5-19(18)24-20(25-21)16-8-13-29-14-16/h2-5,8,13-15,17H,6-7,9-12H2,1H3,(H,23,28)/p+1/t15-/m0/s1