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

Systemtic Name: [3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl-[[(3R)-1-ethylpyrrolidin-1-ium-3-yl]methyl]-methyl-azanium Openeye Name: (3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl-[[(3R)-1-ethylpyrrolidin-1-ium-3-yl]methyl]-methyl-ammonium CAS Name: [3-butyl-2-(4-methylpentylsulfonyl)-4-imidazolyl]methyl-[[(3R)-1-ethyl-3-pyrrolidin-1-iumyl]methyl]-methylammonium IUPAC Name: [3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl-[[(3R)-1-ethylpyrrolidin-1-ium-3-yl]methyl]-methylazanium Traditional Name: (3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl-[[(3R)-1-ethylpyrrolidin-1-ium-3-yl]methyl]-methyl-ammonium Formula: C22H44N4O2S+2 MolecularWeight: 428.67536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H42N4O2S/c1-6-8-12-26-21(18-24(5)16-20-11-13-25(7-2)17-20)15-23-22(26)29(27,28)14-9-10-19(3)4/h15,19-20H,6-14,16-18H2,1-5H3/p+2/t20-/m1/s1