methyl-(phenylmethyl)-[3-[(4-pyrimidin-2-ylpiperazin-1-yl)carbonylamino]propyl]azanium

Systemtic Name: methyl-(phenylmethyl)-[3-[(4-pyrimidin-2-ylpiperazin-1-yl)carbonylamino]propyl]azanium Openeye Name: benzyl-methyl-[3-[(4-pyrimidin-2-ylpiperazine-1-carbonyl)amino]propyl]ammonium CAS Name: methyl-[3-[[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]amino]propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[3-[(4-pyrimidin-2-ylpiperazine-1-carbonyl)amino]propyl]azanium Traditional Name: benzyl-methyl-[3-[[4-(2-pyrimidyl)piperazine-1-carbonyl]amino]propyl]ammonium Formula: C20H29N6O+ MolecularWeight: 369.48386

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC(=O)N1CCN(CC1)C2=NC=CC=N2)CC3=CC=CC=C3

Isomeric SMILES

C[NH+](CCCNC(=O)N1CCN(CC1)C2=NC=CC=N2)CC3=CC=CC=C3

InChI

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