3,3-dimethyl-1-[(3-methyl-1-prop-2-enyl-pyrazol-4-yl)methyl]-1,2,4,7-tetrahydroazepin-1-ium

Systemtic Name: 3,3-dimethyl-1-[(3-methyl-1-prop-2-enyl-pyrazol-4-yl)methyl]-1,2,4,7-tetrahydroazepin-1-ium Openeye Name: 1-[(1-allyl-3-methyl-pyrazol-4-yl)methyl]-3,3-dimethyl-1,2,4,7-tetrahydroazepin-1-ium CAS Name: 3,3-dimethyl-1-[(3-methyl-1-prop-2-enyl-4-pyrazolyl)methyl]-1,2,4,7-tetrahydroazepin-1-ium IUPAC Name: 3,3-dimethyl-1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1,2,4,7-tetrahydroazepin-1-ium Traditional Name: 1-[(1-allyl-3-methyl-pyrazol-4-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:

CC1=NN(C=C1C[NH+]2CC=CCC(C2)(C)C)CC=C

Isomeric SMILES

CC1=NN(C=C1C[NH+]2CC=CCC(C2)(C)C)CC=C

InChI

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