3,3-dimethyl-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]-1,2,4,7-tetrahydroazepin-1-ium

Systemtic Name: 3,3-dimethyl-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]-1,2,4,7-tetrahydroazepin-1-ium Openeye Name: 1-[(2-isopropylpyrimidin-5-yl)methyl]-3,3-dimethyl-1,2,4,7-tetrahydroazepin-1-ium CAS Name: 3,3-dimethyl-1-[(2-propan-2-yl-5-pyrimidinyl)methyl]-1,2,4,7-tetrahydroazepin-1-ium IUPAC Name: 3,3-dimethyl-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]-1,2,4,7-tetrahydroazepin-1-ium Traditional Name: 1-[(2-isopropylpyrimidin-5-yl)methyl]-3,3-dimethyl-1,2,4,7-tetrahydroazepin-1-ium Formula: C16H26N3+ MolecularWeight: 260.39774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC=C(C=N1)C[NH+]2CC=CCC(C2)(C)C

Isomeric SMILES

CC(C)C1=NC=C(C=N1)C[NH+]2CC=CCC(C2)(C)C

InChI

InChI=1S/C16H25N3/c1-13(2)15-17-9-14(10-18-15)11-19-8-6-5-7-16(3,4)12-19/h5-6,9-10,13H,7-8,11-12H2,1-4H3/p+1