6-[[1-(phenylmethyl)piperidin-1-ium-4-yl]oxycarbonylamino]hexyl N-hexylcarbamate

Systemtic Name: 6-[[1-(phenylmethyl)piperidin-1-ium-4-yl]oxycarbonylamino]hexyl N-hexylcarbamate Openeye Name: 6-[(1-benzylpiperidin-1-ium-4-yl)oxycarbonylamino]hexyl N-hexylcarbamate CAS Name: N-hexylcarbamic acid 6-[[oxo-[[1-(phenylmethyl)-4-piperidin-1-iumyl]oxy]methyl]amino]hexyl ester IUPAC Name: 6-[(1-benzylpiperidin-1-ium-4-yl)oxycarbonylamino]hexyl N-hexylcarbamate Traditional Name: N-hexylcarbamic acid 6-[(1-benzylpiperidin-1-ium-4-yl)oxycarbonylamino]hexyl ester Formula: C26H44N3O4+ MolecularWeight: 462.64526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)OCCCCCCNC(=O)OC1CC[NH+](CC1)CC2=CC=CC=C2

Isomeric SMILES

CCCCCCNC(=O)OCCCCCCNC(=O)OC1CC[NH+](CC1)CC2=CC=CC=C2

InChI

InChI=1S/C26H43N3O4/c1-2-3-4-10-17-27-25(30)32-21-12-6-5-11-18-28-26(31)33-24-15-19-29(20-16-24)22-23-13-8-7-9-14-23/h7-9,13-14,24H,2-6,10-12,15-22H2,1H3,(H,27,30)(H,28,31)/p+1