[(1S)-cyclohex-3-en-1-yl]methyl-[(3,5-dimethyl-1-propan-2-yl-pyrazol-4-yl)methyl]-(3-imidazol-1-ylpropyl)azanium

Systemtic Name: [(1S)-cyclohex-3-en-1-yl]methyl-[(3,5-dimethyl-1-propan-2-yl-pyrazol-4-yl)methyl]-(3-imidazol-1-ylpropyl)azanium Openeye Name: [(1S)-cyclohex-3-en-1-yl]methyl-(3-imidazol-1-ylpropyl)-[(1-isopropyl-3,5-dimethyl-pyrazol-4-yl)methyl]ammonium CAS Name: [(1S)-1-cyclohex-3-enyl]methyl-[(3,5-dimethyl-1-propan-2-yl-4-pyrazolyl)methyl]-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: [(1S)-cyclohex-3-en-1-yl]methyl-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-(3-imidazol-1-ylpropyl)azanium Traditional Name: [(1S)-cyclohex-3-en-1-yl]methyl-(3-imidazol-1-ylpropyl)-[(1-isopropyl-3,5-dimethyl-pyrazol-4-yl)methyl]ammonium Formula: C22H36N5+ MolecularWeight: 370.55474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)C)C)C[NH+](CCCN2C=CN=C2)CC3CCC=CC3

Isomeric SMILES

CC1=C(C(=NN1C(C)C)C)C[NH+](CCCN2C=CN=C2)C[C@H]3CCC=CC3

InChI

InChI=1S/C22H35N5/c1-18(2)27-20(4)22(19(3)24-27)16-26(15-21-9-6-5-7-10-21)13-8-12-25-14-11-23-17-25/h5-6,11,14,17-18,21H,7-10,12-13,15-16H2,1-4H3/p+1/t21-/m1/s1