cyclobutylmethyl-[[3-(3-methoxypropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-(phenylmethyl)azanium

Systemtic Name: cyclobutylmethyl-[[3-(3-methoxypropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-(cyclobutylmethyl)-[[3-(3-methoxypropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]ammonium CAS Name: cyclobutylmethyl-[[3-(3-methoxypropyl)-2-methylsulfonyl-4-imidazolyl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-(cyclobutylmethyl)-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]azanium Traditional Name: benzyl-(cyclobutylmethyl)-[[2-mesyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]ammonium Formula: C21H32N3O3S+ MolecularWeight: 406.56208

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=CN=C1S(=O)(=O)C)C[NH+](CC2CCC2)CC3=CC=CC=C3

Isomeric SMILES

COCCCN1C(=CN=C1S(=O)(=O)C)C[NH+](CC2CCC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H31N3O3S/c1-27-13-7-12-24-20(14-22-21(24)28(2,25)26)17-23(16-19-10-6-11-19)15-18-8-4-3-5-9-18/h3-5,8-9,14,19H,6-7,10-13,15-17H2,1-2H3/p+1