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

Systemtic Name: methyl N-phenyl-N-[2-[2-[2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethoxycarbonylamino]ethyl]carbamate Openeye Name: methyl N-phenyl-N-[2-[2-[2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethoxycarbonylamino]ethyl]carbamate CAS Name: N-[2-[[2-[2-[anilino(oxo)methyl]-1-propyl-3-pyridin-1-iumyl]ethoxy-oxomethyl]amino]ethyl]-N-phenylcarbamic acid methyl ester IUPAC Name: methyl N-phenyl-N-[2-[2-[2-(phenylcarbamoyl)-1-propylpyridin-1-ium-3-yl]ethoxycarbonylamino]ethyl]carbamate Traditional Name: N-phenyl-N-[2-[2-[2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethoxycarbonylamino]ethyl]carbamic acid methyl ester Formula: C28H33N4O5+ MolecularWeight: 505.58542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32N4O5/c1-3-18-31-19-10-11-22(25(31)26(33)30-23-12-6-4-7-13-23)16-21-37-27(34)29-17-20-32(28(35)36-2)24-14-8-5-9-15-24/h4-15,19H,3,16-18,20-21H2,1-2H3,(H-,29,30,33,34)/p+1