ethyl-[(1-methylpyrazol-4-yl)methyl]-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]azanium

Systemtic Name: ethyl-[(1-methylpyrazol-4-yl)methyl]-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]azanium Openeye Name: ethyl-[(1-methylpyrazol-4-yl)methyl]-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]ammonium CAS Name: ethyl-[(1-methyl-4-pyrazolyl)methyl]-[[2-methylsulfonyl-3-(3-phenylpropyl)-4-imidazolyl]methyl]ammonium IUPAC Name: ethyl-[(1-methylpyrazol-4-yl)methyl]-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]azanium Traditional Name: ethyl-[[2-mesyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-[(1-methylpyrazol-4-yl)methyl]ammonium Formula: C21H30N5O2S+ MolecularWeight: 416.5602

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CN=C(N1CCCC2=CC=CC=C2)S(=O)(=O)C)CC3=CN(N=C3)C

Isomeric SMILES

CC[NH+](CC1=CN=C(N1CCCC2=CC=CC=C2)S(=O)(=O)C)CC3=CN(N=C3)C

InChI

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