[1-phenyl-2-[2-[2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethoxycarbonylamino]ethyl] N-butylcarbamate

Systemtic Name: [1-phenyl-2-[2-[2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethoxycarbonylamino]ethyl] N-butylcarbamate Openeye Name: [1-phenyl-2-[2-[2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethoxycarbonylamino]ethyl] N-butylcarbamate CAS Name: N-butylcarbamic acid [2-[[2-[2-[anilino(oxo)methyl]-1-propyl-3-pyridin-1-iumyl]ethoxy-oxomethyl]amino]-1-phenylethyl] ester IUPAC Name: [1-phenyl-2-[2-[2-(phenylcarbamoyl)-1-propylpyridin-1-ium-3-yl]ethoxycarbonylamino]ethyl] N-butylcarbamate Traditional Name: N-butylcarbamic acid [1-phenyl-2-[2-[2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethoxycarbonylamino]ethyl] ester Formula: C31H39N4O5+ MolecularWeight: 547.66516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)OC(CNC(=O)OCCC1=C([N+](=CC=C1)CCC)C(=O)NC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)OC(CNC(=O)OCCC1=C([N+](=CC=C1)CCC)C(=O)NC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C31H38N4O5/c1-3-5-19-32-31(38)40-27(24-13-8-6-9-14-24)23-33-30(37)39-22-18-25-15-12-21-35(20-4-2)28(25)29(36)34-26-16-10-7-11-17-26/h6-17,21,27H,3-5,18-20,22-23H2,1-2H3,(H2-,32,33,34,36,37,38)/p+1