[(2R)-2-(4-ethylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium

Systemtic Name: [(2R)-2-(4-ethylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: [(2R)-2-(4-ethylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: [(2R)-2-(4-ethylphenyl)-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: [(2R)-2-(4-ethylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: [(2R)-2-(4-ethylphenyl)-2-[4-(2-pyrimidyl)piperazino]ethyl]ammonium Formula: C18H26N5+ MolecularWeight: 312.43254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C[NH3+])N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C[NH3+])N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C18H25N5/c1-2-15-4-6-16(7-5-15)17(14-19)22-10-12-23(13-11-22)18-20-8-3-9-21-18/h3-9,17H,2,10-14,19H2,1H3/p+1/t17-/m0/s1