(2-methoxyphenyl)methyl-methyl-[3-oxidanylidene-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]azanium

Systemtic Name: (2-methoxyphenyl)methyl-methyl-[3-oxidanylidene-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]azanium Openeye Name: (2-methoxyphenyl)methyl-methyl-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]ammonium CAS Name: (2-methoxyphenyl)methyl-methyl-[3-oxo-3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]ammonium IUPAC Name: (2-methoxyphenyl)methyl-methyl-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]azanium Traditional Name: [3-keto-3-[4-(2-pyrimidyl)piperazino]propyl]-methyl-o-anisyl-ammonium Formula: C20H28N5O2+ MolecularWeight: 370.46862

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC(=O)N1CCN(CC1)C2=NC=CC=N2)CC3=CC=CC=C3OC

Isomeric SMILES

C[NH+](CCC(=O)N1CCN(CC1)C2=NC=CC=N2)CC3=CC=CC=C3OC

InChI

InChI=1S/C20H27N5O2/c1-23(16-17-6-3-4-7-18(17)27-2)11-8-19(26)24-12-14-25(15-13-24)20-21-9-5-10-22-20/h3-7,9-10H,8,11-16H2,1-2H3/p+1