N-[2,6-di(propan-2-yl)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2,6-di(propan-2-yl)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2,6-diisopropylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[2,6-di(propan-2-yl)phenyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2,6-di(propan-2-yl)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2,6-diisopropylphenyl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C22H32N5O+ MolecularWeight: 382.52238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N5O/c1-16(2)18-7-5-8-19(17(3)4)21(18)25-20(28)15-26-11-13-27(14-12-26)22-23-9-6-10-24-22/h5-10,16-17H,11-15H2,1-4H3,(H,25,28)/p+1