[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl-(2-hydroxyethyl)-(phenylmethyl)azanium

Systemtic Name: [1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl-(2-hydroxyethyl)-(phenylmethyl)azanium Openeye Name: benzyl-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]-(2-hydroxyethyl)ammonium CAS Name: [1-(4,6-dimethyl-2-pyrimidinyl)-2-pyrrolyl]methyl-(2-hydroxyethyl)-(phenylmethyl)ammonium IUPAC Name: benzyl-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]-(2-hydroxyethyl)azanium Traditional Name: benzyl-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]-(2-hydroxyethyl)ammonium Formula: C20H25N4O+ MolecularWeight: 337.4387

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CC=C2C[NH+](CCO)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CC=C2C[NH+](CCO)CC3=CC=CC=C3)C

InChI

InChI=1S/C20H24N4O/c1-16-13-17(2)22-20(21-16)24-10-6-9-19(24)15-23(11-12-25)14-18-7-4-3-5-8-18/h3-10,13,25H,11-12,14-15H2,1-2H3/p+1