N-[3-[methyl(phenyl)amino]propyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[3-[methyl(phenyl)amino]propyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[3-(N-methylanilino)propyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[3-(N-methylanilino)propyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[3-(N-methylanilino)propyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[3-(N-methylanilino)propyl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C20H29N6O+ MolecularWeight: 369.48386

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)C[NH+]1CCN(CC1)C2=NC=CC=N2)C3=CC=CC=C3

Isomeric SMILES

CN(CCCNC(=O)C[NH+]1CCN(CC1)C2=NC=CC=N2)C3=CC=CC=C3

InChI

InChI=1S/C20H28N6O/c1-24(18-7-3-2-4-8-18)12-6-11-21-19(27)17-25-13-15-26(16-14-25)20-22-9-5-10-23-20/h2-5,7-10H,6,11-17H2,1H3,(H,21,27)/p+1