methyl-[(5-methylfuran-2-yl)methyl]-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]azanium

Systemtic Name: methyl-[(5-methylfuran-2-yl)methyl]-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]azanium Openeye Name: methyl-[(5-methyl-2-furyl)methyl]-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]ammonium CAS Name: methyl-[(5-methyl-2-furanyl)methyl]-[[2-methylsulfonyl-3-(3-phenylpropyl)-4-imidazolyl]methyl]ammonium IUPAC Name: methyl-[(5-methylfuran-2-yl)methyl]-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]azanium Traditional Name: [2-mesyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methyl-[(5-methyl-2-furyl)methyl]ammonium Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+](C)CC2=CN=C(N2CCCC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(O1)C[NH+](C)CC2=CN=C(N2CCCC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C21H27N3O3S/c1-17-11-12-20(27-17)16-23(2)15-19-14-22-21(28(3,25)26)24(19)13-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-12,14H,7,10,13,15-16H2,1-3H3/p+1