(2R)-N-(4-morpholin-4-ylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-(4-morpholin-4-ylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-(4-morpholinophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2R)-N-[4-(4-morpholinyl)phenyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(4-morpholin-4-ylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-(4-morpholinophenyl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propionamide Formula: C21H29N6O2+ MolecularWeight: 397.49396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCOCC2)[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)N2CCOCC2)[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H28N6O2/c1-17(25-9-11-27(12-10-25)21-22-7-2-8-23-21)20(28)24-18-3-5-19(6-4-18)26-13-15-29-16-14-26/h2-8,17H,9-16H2,1H3,(H,24,28)/p+1/t17-/m1/s1