[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl-[(3-methoxyphenyl)methyl]-methyl-azanium

Systemtic Name: [3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl-[(3-methoxyphenyl)methyl]-methyl-azanium Openeye Name: [3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl-[(3-methoxyphenyl)methyl]-methyl-ammonium CAS Name: [3-butyl-2-(cyclobutylmethylsulfonyl)-4-imidazolyl]methyl-[(3-methoxyphenyl)methyl]-methylammonium IUPAC Name: [3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl-[(3-methoxyphenyl)methyl]-methylazanium Traditional Name: [3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl-m-anisyl-methyl-ammonium Formula: C22H34N3O3S+ MolecularWeight: 420.58866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CC2CCC2)C[NH+](C)CC3=CC(=CC=C3)OC

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CC2CCC2)C[NH+](C)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C22H33N3O3S/c1-4-5-12-25-20(14-23-22(25)29(26,27)17-18-8-6-9-18)16-24(2)15-19-10-7-11-21(13-19)28-3/h7,10-11,13-14,18H,4-6,8-9,12,15-17H2,1-3H3/p+1