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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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