(2S)-2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)-N-quinolin-5-yl-propanamide

Systemtic Name: (2S)-2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)-N-quinolin-5-yl-propanamide Openeye Name: (2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(5-quinolyl)propanamide CAS Name: (2S)-2-[4-[cyclopropyl(oxo)methyl]-1-piperazin-1-iumyl]-N-(5-quinolinyl)propanamide IUPAC Name: (2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-quinolin-5-ylpropanamide Traditional Name: (2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(5-quinolyl)propionamide Formula: C20H25N4O2+ MolecularWeight: 353.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=C1C=CC=N2)[NH+]3CCN(CC3)C(=O)C4CC4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC2=C1C=CC=N2)[NH+]3CCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C20H24N4O2/c1-14(23-10-12-24(13-11-23)20(26)15-7-8-15)19(25)22-18-6-2-5-17-16(18)4-3-9-21-17/h2-6,9,14-15H,7-8,10-13H2,1H3,(H,22,25)/p+1/t14-/m0/s1