(1,3-dimethylpyrazol-4-yl)methyl-[(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-methyl-azanium

Systemtic Name: (1,3-dimethylpyrazol-4-yl)methyl-[(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-methyl-azanium Openeye Name: (1,3-dimethylpyrazol-4-yl)methyl-[(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-methyl-ammonium CAS Name: (1,3-dimethyl-4-pyrazolyl)methyl-[(2-ethylsulfonyl-3-phenethyl-4-imidazolyl)methyl]-methylammonium IUPAC Name: (1,3-dimethylpyrazol-4-yl)methyl-[(2-ethylsulfonyl-3-phenethylimidazol-4-yl)methyl]-methylazanium Traditional Name: (1,3-dimethylpyrazol-4-yl)methyl-[(2-esyl-3-phenethyl-imidazol-4-yl)methyl]-methyl-ammonium Formula: C21H30N5O2S+ MolecularWeight: 416.5602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+](C)CC3=CN(N=C3C)C

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+](C)CC3=CN(N=C3C)C

InChI

InChI=1S/C21H29N5O2S/c1-5-29(27,28)21-22-13-20(26(21)12-11-18-9-7-6-8-10-18)16-24(3)14-19-15-25(4)23-17(19)2/h6-10,13,15H,5,11-12,14,16H2,1-4H3/p+1