2-[2-[2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethoxycarbonylamino]ethyl N-(4-hexylphenyl)carbamate

Systemtic Name: 2-[2-[2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethoxycarbonylamino]ethyl N-(4-hexylphenyl)carbamate Openeye Name: 2-[2-[2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethoxycarbonylamino]ethyl N-(4-hexylphenyl)carbamate CAS Name: N-[2-[(4-hexylanilino)-oxomethoxy]ethyl]carbamic acid 2-[2-[anilino(oxo)methyl]-1-propyl-3-pyridin-1-iumyl]ethyl ester IUPAC Name: 2-[2-[2-(phenylcarbamoyl)-1-propylpyridin-1-ium-3-yl]ethoxycarbonylamino]ethyl N-(4-hexylphenyl)carbamate Traditional Name: N-(4-hexylphenyl)carbamic acid 2-[2-[2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethoxycarbonylamino]ethyl ester Formula: C33H43N4O5+ MolecularWeight: 575.71832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)NC(=O)OCCNC(=O)OCCC2=C([N+](=CC=C2)CCC)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)NC(=O)OCCNC(=O)OCCC2=C([N+](=CC=C2)CCC)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C33H42N4O5/c1-3-5-6-8-12-26-16-18-29(19-17-26)36-33(40)42-25-21-34-32(39)41-24-20-27-13-11-23-37(22-4-2)30(27)31(38)35-28-14-9-7-10-15-28/h7,9-11,13-19,23H,3-6,8,12,20-22,24-25H2,1-2H3,(H2-,34,35,36,38,39,40)/p+1