N,N-diethyl-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]aniline

Systemtic Name: N,N-diethyl-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]aniline Openeye Name: N,N-diethyl-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]aniline CAS Name: N,N-diethyl-4-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]aniline IUPAC Name: N,N-diethyl-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]aniline Traditional Name: diethyl-[4-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]phenyl]amine Formula: C19H28N5+ MolecularWeight: 326.45912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C19H27N5/c1-3-23(4-2)18-8-6-17(7-9-18)16-22-12-14-24(15-13-22)19-20-10-5-11-21-19/h5-11H,3-4,12-16H2,1-2H3/p+1