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

Systemtic Name: [3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl-methyl-(2-pyridin-2-ylethyl)azanium Openeye Name: [3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl-methyl-[2-(2-pyridyl)ethyl]ammonium CAS Name: [3-butyl-2-(cyclobutylmethylsulfonyl)-4-imidazolyl]methyl-methyl-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl-methyl-(2-pyridin-2-ylethyl)azanium Traditional Name: [3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl-methyl-[2-(2-pyridyl)ethyl]ammonium Formula: C21H33N4O2S+ MolecularWeight: 405.57732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CC2CCC2)C[NH+](C)CCC3=CC=CC=N3

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CC2CCC2)C[NH+](C)CCC3=CC=CC=N3

InChI

InChI=1S/C21H32N4O2S/c1-3-4-13-25-20(16-24(2)14-11-19-10-5-6-12-22-19)15-23-21(25)28(26,27)17-18-8-7-9-18/h5-6,10,12,15,18H,3-4,7-9,11,13-14,16-17H2,1-2H3/p+1