tert-butyl 1-[2-[bis[1-(butylcarbamoyloxy)ethyl]amino]ethyl]piperidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-[2-[bis[1-(butylcarbamoyloxy)ethyl]amino]ethyl]piperidin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-[2-[bis[1-(butylcarbamoyloxy)ethyl]amino]ethyl]piperidin-1-ium-1-carboxylate CAS Name: 1-[2-[bis[1-[butylamino(oxo)methoxy]ethyl]amino]ethyl]-1-piperidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[2-[bis[1-(butylcarbamoyloxy)ethyl]amino]ethyl]piperidin-1-ium-1-carboxylate Traditional Name: 1-[2-[bis[1-(butylcarbamoyloxy)ethyl]amino]ethyl]piperidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C26H51N4O6+ MolecularWeight: 515.70634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)OC(C)N(CC[N+]1(CCCCC1)C(=O)OC(C)(C)C)C(C)OC(=O)NCCCC

Isomeric SMILES

CCCCNC(=O)OC(C)N(CC[N+]1(CCCCC1)C(=O)OC(C)(C)C)C(C)OC(=O)NCCCC

InChI

InChI=1S/C26H50N4O6/c1-8-10-15-27-23(31)34-21(3)29(22(4)35-24(32)28-16-11-9-2)17-20-30(18-13-12-14-19-30)25(33)36-26(5,6)7/h21-22H,8-20H2,1-7H3,(H-,27,28,31,32)/p+1