N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(1S)-1-(4-isobutylphenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(1S)-1-(4-isobutylphenyl)ethyl]-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)CC1=CC=C(C=C1)C(C)NC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

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

InChI

InChI=1S/C22H31N5O/c1-17(2)15-19-5-7-20(8-6-19)18(3)25-21(28)16-26-11-13-27(14-12-26)22-23-9-4-10-24-22/h4-10,17-18H,11-16H2,1-3H3,(H,25,28)/p+1/t18-/m0/s1