cyclopropylmethyl-[[3-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfonyl-imidazol-4-yl]methyl]-propyl-azanium

Systemtic Name: cyclopropylmethyl-[[3-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfonyl-imidazol-4-yl]methyl]-propyl-azanium Openeye Name: cyclopropylmethyl-[[3-[(2-fluorophenyl)methyl]-2-isopropylsulfonyl-imidazol-4-yl]methyl]-propyl-ammonium CAS Name: cyclopropylmethyl-[[3-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfonyl-4-imidazolyl]methyl]-propylammonium IUPAC Name: cyclopropylmethyl-[[3-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-propylazanium Traditional Name: cyclopropylmethyl-[[3-(2-fluorobenzyl)-2-isopropylsulfonyl-imidazol-4-yl]methyl]-propyl-ammonium Formula: C21H31FN3O2S+ MolecularWeight: 408.553143

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CC1CC1)CC2=CN=C(N2CC3=CC=CC=C3F)S(=O)(=O)C(C)C

Isomeric SMILES

CCC[NH+](CC1CC1)CC2=CN=C(N2CC3=CC=CC=C3F)S(=O)(=O)C(C)C

InChI

InChI=1S/C21H30FN3O2S/c1-4-11-24(13-17-9-10-17)15-19-12-23-21(28(26,27)16(2)3)25(19)14-18-7-5-6-8-20(18)22/h5-8,12,16-17H,4,9-11,13-15H2,1-3H3/p+1