(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-methyl-[(3-methylpyridin-4-yl)methyl]azanium

Systemtic Name: (2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-methyl-[(3-methylpyridin-4-yl)methyl]azanium Openeye Name: (2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-methyl-[(3-methyl-4-pyridyl)methyl]ammonium CAS Name: (2-ethylsulfonyl-3-phenethyl-4-imidazolyl)methyl-methyl-[(3-methyl-4-pyridinyl)methyl]ammonium IUPAC Name: (2-ethylsulfonyl-3-phenethylimidazol-4-yl)methyl-methyl-[(3-methylpyridin-4-yl)methyl]azanium Traditional Name: (2-esyl-3-phenethyl-imidazol-4-yl)methyl-methyl-[(3-methyl-4-pyridyl)methyl]ammonium Formula: C22H29N4O2S+ MolecularWeight: 413.55626

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+](C)CC3=C(C=NC=C3)C

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+](C)CC3=C(C=NC=C3)C

InChI

InChI=1S/C22H28N4O2S/c1-4-29(27,28)22-24-15-21(26(22)13-11-19-8-6-5-7-9-19)17-25(3)16-20-10-12-23-14-18(20)2/h5-10,12,14-15H,4,11,13,16-17H2,1-3H3/p+1