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

Systemtic Name: 1-[(3-ethylimidazol-4-yl)methyl]-3,3-dimethyl-1,2,4,7-tetrahydroazepin-1-ium Openeye Name: 1-[(3-ethylimidazol-4-yl)methyl]-3,3-dimethyl-1,2,4,7-tetrahydroazepin-1-ium CAS Name: 1-[(3-ethyl-4-imidazolyl)methyl]-3,3-dimethyl-1,2,4,7-tetrahydroazepin-1-ium IUPAC Name: 1-[(3-ethylimidazol-4-yl)methyl]-3,3-dimethyl-1,2,4,7-tetrahydroazepin-1-ium Traditional Name: 1-[(3-ethylimidazol-4-yl)methyl]-3,3-dimethyl-1,2,4,7-tetrahydroazepin-1-ium Formula: C14H24N3+ MolecularWeight: 234.36046

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC=C1C[NH+]2CC=CCC(C2)(C)C

Isomeric SMILES

CCN1C=NC=C1C[NH+]2CC=CCC(C2)(C)C

InChI

InChI=1S/C14H23N3/c1-4-17-12-15-9-13(17)10-16-8-6-5-7-14(2,3)11-16/h5-6,9,12H,4,7-8,10-11H2,1-3H3/p+1