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

Systemtic Name: 2-[2-[2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethoxycarbonylamino]ethyl N-(4-hexoxyphenyl)carbamate Openeye Name: 2-[2-[2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethoxycarbonylamino]ethyl N-(4-hexoxyphenyl)carbamate CAS Name: N-[2-[(4-hexoxyanilino)-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-hexoxyphenyl)carbamate Traditional Name: N-(4-hexoxyphenyl)carbamic acid 2-[2-[2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethoxycarbonylamino]ethyl ester Formula: C33H43N4O6+ MolecularWeight: 591.71772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)NC(=O)OCCNC(=O)OCCC2=C([N+](=CC=C2)CCC)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)NC(=O)OCCNC(=O)OCCC2=C([N+](=CC=C2)CCC)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C33H42N4O6/c1-3-5-6-10-23-41-29-17-15-28(16-18-29)36-33(40)43-25-20-34-32(39)42-24-19-26-12-11-22-37(21-4-2)30(26)31(38)35-27-13-8-7-9-14-27/h7-9,11-18,22H,3-6,10,19-21,23-25H2,1-2H3,(H2-,34,35,36,38,39,40)/p+1