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

Systemtic Name: 2-[2-[2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethoxycarbonylamino]ethyl N-hexan-2-ylcarbamate chloride Openeye Name: 2-[2-[2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethoxycarbonylamino]ethyl N-(1-methylpentyl)carbamate chloride CAS Name: N-hexan-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-hexan-2-ylcarbamate chloride Traditional Name: N-(1-methylpentyl)carbamic acid 2-[2-[2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethoxycarbonylamino]ethyl ester chloride Formula: C27H39ClN4O5 MolecularWeight: 535.07536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38N4O5.ClH/c1-4-6-11-21(3)29-27(34)36-20-16-28-26(33)35-19-15-22-12-10-18-31(17-5-2)24(22)25(32)30-23-13-8-7-9-14-23;/h7-10,12-14,18,21H,4-6,11,15-17,19-20H2,1-3H3,(H2-,28,29,30,32,33,34);1H