methyl-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-[(3-methylthiophen-2-yl)methyl]azanium

Systemtic Name: methyl-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-[(3-methylthiophen-2-yl)methyl]azanium Openeye Name: methyl-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-[(3-methyl-2-thienyl)methyl]ammonium CAS Name: methyl-[[2-methylsulfonyl-3-(3-phenylpropyl)-4-imidazolyl]methyl]-[(3-methyl-2-thiophenyl)methyl]ammonium IUPAC Name: methyl-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-[(3-methylthiophen-2-yl)methyl]azanium Traditional Name: [2-mesyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methyl-[(3-methyl-2-thienyl)methyl]ammonium Formula: C21H28N3O2S2+ MolecularWeight: 418.59592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C[NH+](C)CC2=CN=C(N2CCCC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC1=C(SC=C1)C[NH+](C)CC2=CN=C(N2CCCC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C21H27N3O2S2/c1-17-11-13-27-20(17)16-23(2)15-19-14-22-21(28(3,25)26)24(19)12-7-10-18-8-5-4-6-9-18/h4-6,8-9,11,13-14H,7,10,12,15-16H2,1-3H3/p+1