[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl-[(1-methylimidazol-2-yl)methyl]-propan-2-yl-azanium

Systemtic Name: [3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl-[(1-methylimidazol-2-yl)methyl]-propan-2-yl-azanium Openeye Name: (3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl-isopropyl-[(1-methylimidazol-2-yl)methyl]ammonium CAS Name: [3-butyl-2-(4-methylpentylsulfonyl)-4-imidazolyl]methyl-[(1-methyl-2-imidazolyl)methyl]-propan-2-ylammonium IUPAC Name: [3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl-[(1-methylimidazol-2-yl)methyl]-propan-2-ylazanium Traditional Name: (3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl-isopropyl-[(1-methylimidazol-2-yl)methyl]ammonium Formula: C22H40N5O2S+ MolecularWeight: 438.6503

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CCCC(C)C)C[NH+](CC2=NC=CN2C)C(C)C

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CCCC(C)C)C[NH+](CC2=NC=CN2C)C(C)C

InChI

InChI=1S/C22H39N5O2S/c1-7-8-12-27-20(15-24-22(27)30(28,29)14-9-10-18(2)3)16-26(19(4)5)17-21-23-11-13-25(21)6/h11,13,15,18-19H,7-10,12,14,16-17H2,1-6H3/p+1