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

Systemtic Name: [1-phenyl-2-[2-[2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethoxycarbonylamino]ethyl] ethanoate Openeye Name: [1-phenyl-2-[2-[2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethoxycarbonylamino]ethyl] acetate CAS Name: acetic 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] acetate Traditional Name: acetic acid [1-phenyl-2-[2-[2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethoxycarbonylamino]ethyl] ester Formula: C28H32N3O5+ MolecularWeight: 490.57078

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CC=CC(=C1C(=O)NC2=CC=CC=C2)CCOC(=O)NCC(C3=CC=CC=C3)OC(=O)C

Isomeric SMILES

CCC[N+]1=CC=CC(=C1C(=O)NC2=CC=CC=C2)CCOC(=O)NCC(C3=CC=CC=C3)OC(=O)C

InChI

InChI=1S/C28H31N3O5/c1-3-17-31-18-10-13-23(26(31)27(33)30-24-14-8-5-9-15-24)16-19-35-28(34)29-20-25(36-21(2)32)22-11-6-4-7-12-22/h4-15,18,25H,3,16-17,19-20H2,1-2H3,(H-,29,30,33,34)/p+1