methyl-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]-(1H-pyrazol-5-ylmethyl)azanium

Systemtic Name: methyl-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]-(1H-pyrazol-5-ylmethyl)azanium Openeye Name: (2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-methyl-(1H-pyrazol-5-ylmethyl)ammonium CAS Name: methyl-[(3-phenethyl-2-propan-2-ylsulfonyl-4-imidazolyl)methyl]-(1H-pyrazol-5-ylmethyl)ammonium IUPAC Name: methyl-[(3-phenethyl-2-propan-2-ylsulfonylimidazol-4-yl)methyl]-(1H-pyrazol-5-ylmethyl)azanium Traditional Name: (2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-methyl-(1H-pyrazol-5-ylmethyl)ammonium Formula: C20H28N5O2S+ MolecularWeight: 402.53362

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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=CC=NN3

Isomeric SMILES

CC(C)S(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+](C)CC3=CC=NN3

InChI

InChI=1S/C20H27N5O2S/c1-16(2)28(26,27)20-21-13-19(15-24(3)14-18-9-11-22-23-18)25(20)12-10-17-7-5-4-6-8-17/h4-9,11,13,16H,10,12,14-15H2,1-3H3,(H,22,23)/p+1