methyl-[(1-methylpyrazol-4-yl)methyl]-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]azanium

Systemtic Name: methyl-[(1-methylpyrazol-4-yl)methyl]-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]azanium Openeye Name: (2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-methyl-[(1-methylpyrazol-4-yl)methyl]ammonium CAS Name: methyl-[(1-methyl-4-pyrazolyl)methyl]-[(3-phenethyl-2-propan-2-ylsulfonyl-4-imidazolyl)methyl]ammonium IUPAC Name: methyl-[(1-methylpyrazol-4-yl)methyl]-[(3-phenethyl-2-propan-2-ylsulfonylimidazol-4-yl)methyl]azanium Traditional Name: (2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-methyl-[(1-methylpyrazol-4-yl)methyl]ammonium Formula: C21H30N5O2S+ MolecularWeight: 416.5602

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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=CN(N=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O2S/c1-17(2)29(27,28)21-22-13-20(16-24(3)14-19-12-23-25(4)15-19)26(21)11-10-18-8-6-5-7-9-18/h5-9,12-13,15,17H,10-11,14,16H2,1-4H3/p+1