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

Systemtic Name: (2S)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-quinolin-5-yl-propanamide Openeye Name: (2S)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-(5-quinolyl)propanamide CAS Name: (2S)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]-N-(5-quinolinyl)propanamide IUPAC Name: (2S)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-quinolin-5-ylpropanamide Traditional Name: (2S)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]-N-(5-quinolyl)propionamide Formula: C20H23N6O+ MolecularWeight: 363.43622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=C1C=CC=N2)[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC2=C1C=CC=N2)[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H22N6O/c1-15(25-11-13-26(14-12-25)20-22-9-4-10-23-20)19(27)24-18-7-2-6-17-16(18)5-3-8-21-17/h2-10,15H,11-14H2,1H3,(H,24,27)/p+1/t15-/m0/s1