2-[2-[2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethoxycarbonylamino]ethyl N-dodecan-2-ylcarbamate chloride

Systemtic Name: 2-[2-[2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethoxycarbonylamino]ethyl N-dodecan-2-ylcarbamate chloride Openeye Name: 2-[2-[2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethoxycarbonylamino]ethyl N-(1-methylundecyl)carbamate chloride CAS Name: N-dodecan-2-ylcarbamic acid 2-[[2-[2-[anilino(oxo)methyl]-1-propyl-3-pyridin-1-iumyl]ethoxy-oxomethyl]amino]ethyl ester chloride IUPAC Name: 2-[2-[2-(phenylcarbamoyl)-1-propylpyridin-1-ium-3-yl]ethoxycarbonylamino]ethyl N-dodecan-2-ylcarbamate chloride Traditional Name: N-(1-methylundecyl)carbamic acid 2-[2-[2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethoxycarbonylamino]ethyl ester chloride Formula: C33H51ClN4O5 MolecularWeight: 619.23484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C)NC(=O)OCCNC(=O)OCCC1=C([N+](=CC=C1)CCC)C(=O)NC2=CC=CC=C2.[Cl-]

Isomeric SMILES

CCCCCCCCCCC(C)NC(=O)OCCNC(=O)OCCC1=C([N+](=CC=C1)CCC)C(=O)NC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C33H50N4O5.ClH/c1-4-6-7-8-9-10-11-13-17-27(3)35-33(40)42-26-22-34-32(39)41-25-21-28-18-16-24-37(23-5-2)30(28)31(38)36-29-19-14-12-15-20-29;/h12,14-16,18-20,24,27H,4-11,13,17,21-23,25-26H2,1-3H3,(H2-,34,35,36,38,39,40);1H