N-[(3-butyl-2-cyclohexylsulfonyl-imidazol-4-yl)methyl]-N-methyl-1-[(2R)-1-methylpyrrolidin-1-ium-2-yl]methanamine

Systemtic Name: N-[(3-butyl-2-cyclohexylsulfonyl-imidazol-4-yl)methyl]-N-methyl-1-[(2R)-1-methylpyrrolidin-1-ium-2-yl]methanamine Openeye Name: N-[(3-butyl-2-cyclohexylsulfonyl-imidazol-4-yl)methyl]-N-methyl-1-[(2R)-1-methylpyrrolidin-1-ium-2-yl]methanamine CAS Name: N-[(3-butyl-2-cyclohexylsulfonyl-4-imidazolyl)methyl]-N-methyl-1-[(2R)-1-methyl-2-pyrrolidin-1-iumyl]methanamine IUPAC Name: N-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]-N-methyl-1-[(2R)-1-methylpyrrolidin-1-ium-2-yl]methanamine Traditional Name: (3-butyl-2-cyclohexylsulfonyl-imidazol-4-yl)methyl-methyl-[[(2R)-1-methylpyrrolidin-1-ium-2-yl]methyl]amine Formula: C21H39N4O2S+ MolecularWeight: 411.62496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)C2CCCCC2)CN(C)CC3CCC[NH+]3C

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)C2CCCCC2)CN(C)C[C@H]3CCC[NH+]3C

InChI

InChI=1S/C21H38N4O2S/c1-4-5-14-25-19(17-23(2)16-18-10-9-13-24(18)3)15-22-21(25)28(26,27)20-11-7-6-8-12-20/h15,18,20H,4-14,16-17H2,1-3H3/p+1/t18-/m1/s1