[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl-but-2-ynyl-(furan-2-ylmethyl)azanium

Systemtic Name: [3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl-but-2-ynyl-(furan-2-ylmethyl)azanium Openeye Name: [3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl-but-2-ynyl-(2-furylmethyl)ammonium CAS Name: [3-butyl-2-(cyclobutylmethylsulfonyl)-4-imidazolyl]methyl-but-2-ynyl-(2-furanylmethyl)ammonium IUPAC Name: [3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl-but-2-ynyl-(furan-2-ylmethyl)azanium Traditional Name: [3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl-but-2-ynyl-(2-furfuryl)ammonium Formula: C22H32N3O3S+ MolecularWeight: 418.57278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CC2CCC2)C[NH+](CC#CC)CC3=CC=CO3

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CC2CCC2)C[NH+](CC#CC)CC3=CC=CO3

InChI

InChI=1S/C22H31N3O3S/c1-3-5-12-24(17-21-11-8-14-28-21)16-20-15-23-22(25(20)13-6-4-2)29(26,27)18-19-9-7-10-19/h8,11,14-15,19H,4,6-7,9-10,12-13,16-18H2,1-2H3/p+1