2-(benzotriazol-2-yl)-N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]ethanamide

Systemtic Name: 2-(benzotriazol-2-yl)-N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]ethanamide Openeye Name: 2-(benzotriazol-2-yl)-N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]acetamide CAS Name: 2-(2-benzotriazolyl)-N-[(1-cyclopentyl-4-piperidin-1-iumyl)methyl]-N-[[(2R)-2-oxolanyl]methyl]acetamide IUPAC Name: 2-(benzotriazol-2-yl)-N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide Traditional Name: 2-(benzotriazol-2-yl)-N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]acetamide Formula: C24H36N5O2+ MolecularWeight: 426.57494

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCC(CC2)CN(CC3CCCO3)C(=O)CN4N=C5C=CC=CC5=N4

Isomeric SMILES

C1CCC(C1)[NH+]2CCC(CC2)CN(C[C@H]3CCCO3)C(=O)CN4N=C5C=CC=CC5=N4

InChI

InChI=1S/C24H35N5O2/c30-24(18-29-25-22-9-3-4-10-23(22)26-29)28(17-21-8-5-15-31-21)16-19-11-13-27(14-12-19)20-6-1-2-7-20/h3-4,9-10,19-21H,1-2,5-8,11-18H2/p+1/t21-/m1/s1