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

Systemtic Name: [3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl-methyl-[[(3R)-1-propan-2-ylpyrrolidin-1-ium-3-yl]methyl]azanium Openeye Name: (3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl-[[(3R)-1-isopropylpyrrolidin-1-ium-3-yl]methyl]-methyl-ammonium CAS Name: [3-butyl-2-(4-methylpentylsulfonyl)-4-imidazolyl]methyl-methyl-[[(3R)-1-propan-2-yl-3-pyrrolidin-1-iumyl]methyl]ammonium IUPAC Name: [3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl-methyl-[[(3R)-1-propan-2-ylpyrrolidin-1-ium-3-yl]methyl]azanium Traditional Name: (3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl-[[(3R)-1-isopropylpyrrolidin-1-ium-3-yl]methyl]-methyl-ammonium Formula: C23H46N4O2S+2 MolecularWeight: 442.70194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CCCC(C)C)C[NH+](C)CC2CC[NH+](C2)C(C)C

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CCCC(C)C)C[NH+](C)C[C@H]2CC[NH+](C2)C(C)C

InChI

InChI=1S/C23H44N4O2S/c1-7-8-12-27-22(15-24-23(27)30(28,29)14-9-10-19(2)3)18-25(6)16-21-11-13-26(17-21)20(4)5/h15,19-21H,7-14,16-18H2,1-6H3/p+2/t21-/m1/s1