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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC=C(C=N1)C[NH+](CCC2=CC=CC=C2)CC3=CC=NC=C3

Isomeric SMILES

CCCC1=NC=C(C=N1)C[NH+](CCC2=CC=CC=C2)CC3=CC=NC=C3

InChI

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