(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-quinolin-5-yl-propanamide

Systemtic Name: (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-quinolin-5-yl-propanamide Openeye Name: (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(5-quinolyl)propanamide CAS Name: (2S)-2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-N-(5-quinolinyl)propanamide IUPAC Name: (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-quinolin-5-ylpropanamide Traditional Name: (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(5-quinolyl)propionamide Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=C1C=CC=N2)[NH+]3CCN(CC3)C4=CC=CC=C4O

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC2=C1C=CC=N2)[NH+]3CCN(CC3)C4=CC=CC=C4O

InChI

InChI=1S/C22H24N4O2/c1-16(22(28)24-19-8-4-7-18-17(19)6-5-11-23-18)25-12-14-26(15-13-25)20-9-2-3-10-21(20)27/h2-11,16,27H,12-15H2,1H3,(H,24,28)/p+1/t16-/m0/s1