[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl-methyl-(3-morpholin-4-ylpropyl)azanium

Systemtic Name: [3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl-methyl-(3-morpholin-4-ylpropyl)azanium Openeye Name: (3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl-methyl-(3-morpholinopropyl)ammonium CAS Name: [3-butyl-2-(4-methylpentylsulfonyl)-4-imidazolyl]methyl-methyl-[3-(4-morpholinyl)propyl]ammonium IUPAC Name: [3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl-methyl-(3-morpholin-4-ylpropyl)azanium Traditional Name: (3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl-methyl-(3-morpholinopropyl)ammonium Formula: C22H43N4O3S+ MolecularWeight: 443.66682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CCCC(C)C)C[NH+](C)CCCN2CCOCC2

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CCCC(C)C)C[NH+](C)CCCN2CCOCC2

InChI

InChI=1S/C22H42N4O3S/c1-5-6-12-26-21(18-23-22(26)30(27,28)17-7-9-20(2)3)19-24(4)10-8-11-25-13-15-29-16-14-25/h18,20H,5-17,19H2,1-4H3/p+1