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

Systemtic Name: 1-[1-[2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethoxycarbonylamino]propan-2-yl ethanoate Openeye Name: [1-methyl-2-[1-[2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethoxycarbonylamino]ethyl] acetate CAS Name: acetic acid 1-[[1-[2-[anilino(oxo)methyl]-1-propyl-3-pyridin-1-iumyl]ethoxy-oxomethyl]amino]propan-2-yl ester IUPAC Name: 1-[1-[2-(phenylcarbamoyl)-1-propylpyridin-1-ium-3-yl]ethoxycarbonylamino]propan-2-yl acetate Traditional Name: acetic acid [1-methyl-2-[1-[2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethoxycarbonylamino]ethyl] ester Formula: C23H30N3O5+ MolecularWeight: 428.5014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O5/c1-5-13-26-14-9-12-20(21(26)22(28)25-19-10-7-6-8-11-19)17(3)31-23(29)24-15-16(2)30-18(4)27/h6-12,14,16-17H,5,13,15H2,1-4H3,(H-,24,25,28,29)/p+1