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

Systemtic Name: (3,4-dichlorophenyl)methyl-methyl-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: (3,4-dichlorophenyl)methyl-methyl-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: (3,4-dichlorophenyl)methyl-methyl-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: (3,4-dichlorophenyl)methyl-methyl-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: (3,4-dichlorobenzyl)-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]-methyl-ammonium Formula: C18H22Cl2N5O+ MolecularWeight: 395.30618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21Cl2N5O/c1-23(12-14-3-4-15(19)16(20)11-14)13-17(26)24-7-9-25(10-8-24)18-21-5-2-6-22-18/h2-6,11H,7-10,12-13H2,1H3/p+1