[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl-[(2S)-2-ethylhexyl]azanium

Systemtic Name: [1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl-[(2S)-2-ethylhexyl]azanium Openeye Name: [1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl-[(2S)-2-ethylhexyl]ammonium CAS Name: [1-(4,6-dimethyl-2-pyrimidinyl)-2-pyrrolyl]methyl-[(2S)-2-ethylhexyl]ammonium IUPAC Name: [1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl-[(2S)-2-ethylhexyl]azanium Traditional Name: [1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl-[(2S)-2-ethylhexyl]ammonium Formula: C19H31N4+ MolecularWeight: 315.47624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C[NH2+]CC1=CC=CN1C2=NC(=CC(=N2)C)C

Isomeric SMILES

CCCC[C@H](CC)C[NH2+]CC1=CC=CN1C2=NC(=CC(=N2)C)C

InChI

InChI=1S/C19H30N4/c1-5-7-9-17(6-2)13-20-14-18-10-8-11-23(18)19-21-15(3)12-16(4)22-19/h8,10-12,17,20H,5-7,9,13-14H2,1-4H3/p+1/t17-/m0/s1