[5-(azepan-1-yl)-1,3-dimethyl-pyrazol-4-yl]methylazanium

Systemtic Name: [5-(azepan-1-yl)-1,3-dimethyl-pyrazol-4-yl]methylazanium Openeye Name: [5-(azepan-1-yl)-1,3-dimethyl-pyrazol-4-yl]methylammonium CAS Name: [5-(1-azepanyl)-1,3-dimethyl-4-pyrazolyl]methylammonium IUPAC Name: [5-(azepan-1-yl)-1,3-dimethylpyrazol-4-yl]methylazanium Traditional Name: [5-(azepan-1-yl)-1,3-dimethyl-pyrazol-4-yl]methylammonium Formula: C12H23N4+ MolecularWeight: 223.33782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C[NH3+])N2CCCCCC2)C

Isomeric SMILES

CC1=NN(C(=C1C[NH3+])N2CCCCCC2)C

InChI

InChI=1S/C12H22N4/c1-10-11(9-13)12(15(2)14-10)16-7-5-3-4-6-8-16/h3-9,13H2,1-2H3/p+1