[(1S)-cyclohex-3-en-1-yl]methyl-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-(3-imidazol-1-ylpropyl)azanium

Systemtic Name: [(1S)-cyclohex-3-en-1-yl]methyl-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-(3-imidazol-1-ylpropyl)azanium Openeye Name: [(1S)-cyclohex-3-en-1-yl]methyl-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-(3-imidazol-1-ylpropyl)ammonium CAS Name: [(1S)-1-cyclohex-3-enyl]methyl-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl]-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: [(1S)-cyclohex-3-en-1-yl]methyl-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-(3-imidazol-1-ylpropyl)azanium Traditional Name: [(1S)-cyclohex-3-en-1-yl]methyl-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-(3-imidazol-1-ylpropyl)ammonium Formula: C21H34N5+ MolecularWeight: 356.52816

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)C[NH+](CCCN2C=CN=C2)CC3CCC=CC3)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)C[NH+](CCCN2C=CN=C2)C[C@H]3CCC=CC3)C

InChI

InChI=1S/C21H33N5/c1-4-26-19(3)21(18(2)23-26)16-25(15-20-9-6-5-7-10-20)13-8-12-24-14-11-22-17-24/h5-6,11,14,17,20H,4,7-10,12-13,15-16H2,1-3H3/p+1/t20-/m1/s1