(3-ethanoylphenyl)methyl-[(1S)-1-(4-methyl-2-pyridin-4-yl-pyrimidin-5-yl)ethyl]azanium

Systemtic Name: (3-ethanoylphenyl)methyl-[(1S)-1-(4-methyl-2-pyridin-4-yl-pyrimidin-5-yl)ethyl]azanium Openeye Name: (3-acetylphenyl)methyl-[(1S)-1-[4-methyl-2-(4-pyridyl)pyrimidin-5-yl]ethyl]ammonium CAS Name: (3-acetylphenyl)methyl-[(1S)-1-(4-methyl-2-pyridin-4-yl-5-pyrimidinyl)ethyl]ammonium IUPAC Name: (3-acetylphenyl)methyl-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]azanium Traditional Name: (3-acetylbenzyl)-[(1S)-1-[4-methyl-2-(4-pyridyl)pyrimidin-5-yl]ethyl]ammonium Formula: C21H23N4O+ MolecularWeight: 347.43352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(C)[NH2+]CC2=CC=CC(=C2)C(=O)C)C3=CC=NC=C3

Isomeric SMILES

CC1=NC(=NC=C1[C@H](C)[NH2+]CC2=CC=CC(=C2)C(=O)C)C3=CC=NC=C3

InChI

InChI=1S/C21H22N4O/c1-14(23-12-17-5-4-6-19(11-17)16(3)26)20-13-24-21(25-15(20)2)18-7-9-22-10-8-18/h4-11,13-14,23H,12H2,1-3H3/p+1/t14-/m0/s1