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

Systemtic Name: N-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-N-methyl-1-[(3R)-1-propan-2-ylpyrrolidin-1-ium-3-yl]methanamine Openeye Name: N-[(3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl]-1-[(3R)-1-isopropylpyrrolidin-1-ium-3-yl]-N-methyl-methanamine CAS Name: N-[[3-butyl-2-(4-methylpentylsulfonyl)-4-imidazolyl]methyl]-N-methyl-1-[(3R)-1-propan-2-yl-3-pyrrolidin-1-iumyl]methanamine IUPAC Name: N-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-N-methyl-1-[(3R)-1-propan-2-ylpyrrolidin-1-ium-3-yl]methanamine Traditional Name: (3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl-[[(3R)-1-isopropylpyrrolidin-1-ium-3-yl]methyl]-methyl-amine Formula: C23H45N4O2S+ MolecularWeight: 441.694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CCCC(C)C)CN(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+1/t21-/m1/s1