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

Systemtic Name: 1-adamantyl-[(1S)-1-(4-methyl-2-pyridin-4-yl-pyrimidin-5-yl)ethyl]azanium Openeye Name: 1-adamantyl-[(1S)-1-[4-methyl-2-(4-pyridyl)pyrimidin-5-yl]ethyl]ammonium CAS Name: 1-adamantyl-[(1S)-1-(4-methyl-2-pyridin-4-yl-5-pyrimidinyl)ethyl]ammonium IUPAC Name: 1-adamantyl-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]azanium Traditional Name: 1-adamantyl-[(1S)-1-[4-methyl-2-(4-pyridyl)pyrimidin-5-yl]ethyl]ammonium Formula: C22H29N4+ MolecularWeight: 349.49246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(C)[NH2+]C23CC4CC(C2)CC(C4)C3)C5=CC=NC=C5

Isomeric SMILES

CC1=NC(=NC=C1[C@H](C)[NH2+]C23CC4CC(C2)CC(C4)C3)C5=CC=NC=C5

InChI

InChI=1S/C22H28N4/c1-14-20(13-24-21(25-14)19-3-5-23-6-4-19)15(2)26-22-10-16-7-17(11-22)9-18(8-16)12-22/h3-6,13,15-18,26H,7-12H2,1-2H3/p+1/t15-,16?,17?,18?,22?/m0/s1