(4-dimethylaminophenyl)methyl-ethyl-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium

Systemtic Name: (4-dimethylaminophenyl)methyl-ethyl-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: (4-dimethylaminophenyl)methyl-ethyl-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: (4-dimethylaminophenyl)methyl-ethyl-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: (4-dimethylaminophenyl)methyl-ethyl-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: [4-(dimethylamino)benzyl]-ethyl-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]ammonium Formula: C21H31N6O+ MolecularWeight: 383.51044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N6O/c1-4-25(16-18-6-8-19(9-7-18)24(2)3)17-20(28)26-12-14-27(15-13-26)21-22-10-5-11-23-21/h5-11H,4,12-17H2,1-3H3/p+1