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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O2S/c1-3-5-13-25-20(16-24(4-2)15-18-9-11-22-12-10-18)14-23-21(25)28(26,27)17-19-7-6-8-19/h9-12,14,19H,3-8,13,15-17H2,1-2H3/p+1