4-[[(2R)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanoyl]amino]benzamide

Systemtic Name: 4-[[(2R)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanoyl]amino]benzamide Openeye Name: 4-[[(2R)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanoyl]amino]benzamide CAS Name: 4-[[(2R)-1-oxo-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propyl]amino]benzamide IUPAC Name: 4-[[(2R)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanoyl]amino]benzamide Traditional Name: 4-[[(2R)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propanoyl]amino]benzamide Formula: C18H23N6O2+ MolecularWeight: 355.41422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)N)[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C18H22N6O2/c1-13(17(26)22-15-5-3-14(4-6-15)16(19)25)23-9-11-24(12-10-23)18-20-7-2-8-21-18/h2-8,13H,9-12H2,1H3,(H2,19,25)(H,22,26)/p+1/t13-/m1/s1