1-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]azepan-1-ium

Systemtic Name: 1-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]azepan-1-ium Openeye Name: 1-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]azepan-1-ium CAS Name: 1-[[1-(4,6-dimethyl-2-pyrimidinyl)-2-pyrrolyl]methyl]azepan-1-ium IUPAC Name: 1-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]azepan-1-ium Traditional Name: 1-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]azepan-1-ium Formula: C17H25N4+ MolecularWeight: 285.4072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CC=C2C[NH+]3CCCCCC3)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CC=C2C[NH+]3CCCCCC3)C

InChI

InChI=1S/C17H24N4/c1-14-12-15(2)19-17(18-14)21-11-7-8-16(21)13-20-9-5-3-4-6-10-20/h7-8,11-12H,3-6,9-10,13H2,1-2H3/p+1