N-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]-1-(1-cyclopentylpiperidin-1-ium-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]methanamine

Systemtic Name: N-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]-1-(1-cyclopentylpiperidin-1-ium-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]methanamine Openeye Name: N-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]-1-(1-cyclopentylpiperidin-1-ium-4-yl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]methanamine CAS Name: N-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]-1-(1-cyclopentyl-4-piperidin-1-iumyl)-N-[[(2R)-2-oxolanyl]methyl]methanamine IUPAC Name: N-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]-1-(1-cyclopentylpiperidin-1-ium-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]methanamine Traditional Name: (2-butyl-1H-imidazol-3-ium-5-yl)methyl-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-[[(2R)-tetrahydrofuran-2-yl]methyl]amine Formula: C24H44N4O+2 MolecularWeight: 404.63236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[NH+]C=C(N1)CN(CC2CC[NH+](CC2)C3CCCC3)CC4CCCO4

Isomeric SMILES

CCCCC1=[NH+]C=C(N1)CN(C[C@H]2CCCO2)CC3CC[NH+](CC3)C4CCCC4

InChI

InChI=1S/C24H42N4O/c1-2-3-10-24-25-16-21(26-24)18-27(19-23-9-6-15-29-23)17-20-11-13-28(14-12-20)22-7-4-5-8-22/h16,20,22-23H,2-15,17-19H2,1H3,(H,25,26)/p+2/t23-/m1/s1