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

Systemtic Name: 1-adamantyl-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]azanium Openeye Name: 1-adamantyl-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]ammonium CAS Name: 1-adamantyl-[[1-(4,6-dimethyl-2-pyrimidinyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: 1-adamantyl-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]azanium Traditional Name: 1-adamantyl-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]ammonium Formula: C21H29N4+ MolecularWeight: 337.48176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CC=C2C[NH2+]C34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CC=C2C[NH2+]C34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C21H28N4/c1-14-6-15(2)24-20(23-14)25-5-3-4-19(25)13-22-21-10-16-7-17(11-21)9-18(8-16)12-21/h3-6,16-18,22H,7-13H2,1-2H3/p+1