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

Systemtic Name: [3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl-methyl-(pyridin-3-ylmethyl)azanium Openeye Name: (3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl-methyl-(3-pyridylmethyl)ammonium CAS Name: [3-butyl-2-(4-methylpentylsulfonyl)-4-imidazolyl]methyl-methyl-(3-pyridinylmethyl)ammonium IUPAC Name: [3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl-methyl-(pyridin-3-ylmethyl)azanium Traditional Name: (3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl-methyl-(3-pyridylmethyl)ammonium Formula: C21H35N4O2S+ MolecularWeight: 407.5932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CCCC(C)C)C[NH+](C)CC2=CN=CC=C2

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CCCC(C)C)C[NH+](C)CC2=CN=CC=C2

InChI

InChI=1S/C21H34N4O2S/c1-5-6-12-25-20(17-24(4)16-19-10-7-11-22-14-19)15-23-21(25)28(26,27)13-8-9-18(2)3/h7,10-11,14-15,18H,5-6,8-9,12-13,16-17H2,1-4H3/p+1