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

Systemtic Name: (2-methylphenyl)methyl-[(1S)-1-(4-methyl-2-pyridin-4-yl-pyrimidin-5-yl)ethyl]azanium Openeye Name: [(1S)-1-[4-methyl-2-(4-pyridyl)pyrimidin-5-yl]ethyl]-(o-tolylmethyl)ammonium CAS Name: (2-methylphenyl)methyl-[(1S)-1-(4-methyl-2-pyridin-4-yl-5-pyrimidinyl)ethyl]ammonium IUPAC Name: (2-methylphenyl)methyl-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]azanium Traditional Name: (2-methylbenzyl)-[(1S)-1-[4-methyl-2-(4-pyridyl)pyrimidin-5-yl]ethyl]ammonium Formula: C20H23N4+ MolecularWeight: 319.42342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH2+]C(C)C2=CN=C(N=C2C)C3=CC=NC=C3

Isomeric SMILES

CC1=CC=CC=C1C[NH2+][C@@H](C)C2=CN=C(N=C2C)C3=CC=NC=C3

InChI

InChI=1S/C20H22N4/c1-14-6-4-5-7-18(14)12-22-15(2)19-13-23-20(24-16(19)3)17-8-10-21-11-9-17/h4-11,13,15,22H,12H2,1-3H3/p+1/t15-/m0/s1