(2,3-dimethoxyphenyl)methyl-methyl-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium

Systemtic Name: (2,3-dimethoxyphenyl)methyl-methyl-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: (2,3-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: (2,3-dimethoxyphenyl)methyl-methyl-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: (2,3-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]-methyl-o-veratryl-ammonium Formula: C20H28N5O3+ MolecularWeight: 386.46802

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C(=CC=C1)OC)OC)CC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

C[NH+](CC1=C(C(=CC=C1)OC)OC)CC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C20H27N5O3/c1-23(14-16-6-4-7-17(27-2)19(16)28-3)15-18(26)24-10-12-25(13-11-24)20-21-8-5-9-22-20/h4-9H,10-15H2,1-3H3/p+1