methyl-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]-(pyrimidin-4-ylmethyl)azanium

Systemtic Name: methyl-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]-(pyrimidin-4-ylmethyl)azanium Openeye Name: (2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-methyl-(pyrimidin-4-ylmethyl)ammonium CAS Name: methyl-[(3-phenethyl-2-propan-2-ylsulfonyl-4-imidazolyl)methyl]-(4-pyrimidinylmethyl)ammonium IUPAC Name: methyl-[(3-phenethyl-2-propan-2-ylsulfonylimidazol-4-yl)methyl]-(pyrimidin-4-ylmethyl)azanium Traditional Name: (2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-methyl-(4-pyrimidylmethyl)ammonium Formula: C21H28N5O2S+ MolecularWeight: 414.54432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O2S/c1-17(2)29(27,28)21-23-13-20(15-25(3)14-19-9-11-22-16-24-19)26(21)12-10-18-7-5-4-6-8-18/h4-9,11,13,16-17H,10,12,14-15H2,1-3H3/p+1