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

Systemtic Name: N-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-N-methyl-1-[(2R)-1-methylpyrrolidin-1-ium-2-yl]methanamine Openeye Name: N-[(3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl]-N-methyl-1-[(2R)-1-methylpyrrolidin-1-ium-2-yl]methanamine CAS Name: N-[[3-butyl-2-(4-methylpentylsulfonyl)-4-imidazolyl]methyl]-N-methyl-1-[(2R)-1-methyl-2-pyrrolidin-1-iumyl]methanamine IUPAC Name: N-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-N-methyl-1-[(2R)-1-methylpyrrolidin-1-ium-2-yl]methanamine Traditional Name: (3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl-methyl-[[(2R)-1-methylpyrrolidin-1-ium-2-yl]methyl]amine Formula: C21H41N4O2S+ MolecularWeight: 413.64084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CCCC(C)C)CN(C)CC2CCC[NH+]2C

Isomeric SMILES

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

InChI

InChI=1S/C21H40N4O2S/c1-6-7-13-25-20(17-23(4)16-19-11-8-12-24(19)5)15-22-21(25)28(26,27)14-9-10-18(2)3/h15,18-19H,6-14,16-17H2,1-5H3/p+1/t19-/m1/s1