phenethyl-[(2-propan-2-ylpyrimidin-5-yl)methyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: phenethyl-[(2-propan-2-ylpyrimidin-5-yl)methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: (2-isopropylpyrimidin-5-yl)methyl-phenethyl-(4-pyridylmethyl)ammonium CAS Name: phenethyl-[(2-propan-2-yl-5-pyrimidinyl)methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: phenethyl-[(2-propan-2-ylpyrimidin-5-yl)methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: (2-isopropylpyrimidin-5-yl)methyl-phenethyl-(4-pyridylmethyl)ammonium Formula: C22H27N4+ MolecularWeight: 347.47658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC=C(C=N1)C[NH+](CCC2=CC=CC=C2)CC3=CC=NC=C3

Isomeric SMILES

CC(C)C1=NC=C(C=N1)C[NH+](CCC2=CC=CC=C2)CC3=CC=NC=C3

InChI

InChI=1S/C22H26N4/c1-18(2)22-24-14-21(15-25-22)17-26(16-20-8-11-23-12-9-20)13-10-19-6-4-3-5-7-19/h3-9,11-12,14-15,18H,10,13,16-17H2,1-2H3/p+1