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

Systemtic Name: (2S)-N-(4-ethylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(4-ethylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(4-ethylphenyl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(4-ethylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(4-ethylphenyl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propionamide Formula: C19H26N5O+ MolecularWeight: 340.44264

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C19H25N5O/c1-3-16-5-7-17(8-6-16)22-18(25)15(2)23-11-13-24(14-12-23)19-20-9-4-10-21-19/h4-10,15H,3,11-14H2,1-2H3,(H,22,25)/p+1/t15-/m0/s1