[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl-methyl-(1,3-thiazol-2-ylmethyl)azanium

Systemtic Name: [3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl-methyl-(1,3-thiazol-2-ylmethyl)azanium Openeye Name: [3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl-methyl-(thiazol-2-ylmethyl)ammonium CAS Name: [3-(4-cyclohexylphenyl)-1-methyl-4-pyrazolyl]methyl-methyl-(2-thiazolylmethyl)ammonium IUPAC Name: [3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl-methyl-(1,3-thiazol-2-ylmethyl)azanium Traditional Name: [3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl-methyl-(thiazol-2-ylmethyl)ammonium Formula: C22H29N4S+ MolecularWeight: 381.55746

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=C(C=C2)C3CCCCC3)C[NH+](C)CC4=NC=CS4

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=C(C=C2)C3CCCCC3)C[NH+](C)CC4=NC=CS4

InChI

InChI=1S/C22H28N4S/c1-25(16-21-23-12-13-27-21)14-20-15-26(2)24-22(20)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h8-13,15,17H,3-7,14,16H2,1-2H3/p+1