(2-chlorophenyl)methyl-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-(3-imidazol-1-ylpropyl)azanium

Systemtic Name: (2-chlorophenyl)methyl-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-(3-imidazol-1-ylpropyl)azanium Openeye Name: (2-chlorophenyl)methyl-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-(3-imidazol-1-ylpropyl)ammonium CAS Name: (2-chlorophenyl)methyl-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl]-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: (2-chlorophenyl)methyl-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-(3-imidazol-1-ylpropyl)azanium Traditional Name: (2-chlorobenzyl)-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-(3-imidazol-1-ylpropyl)ammonium Formula: C21H29ClN5+ MolecularWeight: 386.94146

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)C[NH+](CCCN2C=CN=C2)CC3=CC=CC=C3Cl)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)C[NH+](CCCN2C=CN=C2)CC3=CC=CC=C3Cl)C

InChI

InChI=1S/C21H28ClN5/c1-4-27-18(3)20(17(2)24-27)15-26(12-7-11-25-13-10-23-16-25)14-19-8-5-6-9-21(19)22/h5-6,8-10,13,16H,4,7,11-12,14-15H2,1-3H3/p+1