2-(ethoxymethyl)-2-[1-methyl-4-phenyl-1-(pyridin-2-ylamino)pyrrol-1-ium-3-yl]-3-phenyl-propanoic acid

Systemtic Name: 2-(ethoxymethyl)-2-[1-methyl-4-phenyl-1-(pyridin-2-ylamino)pyrrol-1-ium-3-yl]-3-phenyl-propanoic acid Openeye Name: 2-benzyl-3-ethoxy-2-[1-methyl-4-phenyl-1-(2-pyridylamino)pyrrol-1-ium-3-yl]propanoic acid CAS Name: 2-(ethoxymethyl)-2-[1-methyl-4-phenyl-1-(2-pyridinylamino)-3-pyrrol-1-iumyl]-3-phenylpropanoic acid IUPAC Name: 2-benzyl-3-ethoxy-2-[1-methyl-4-phenyl-1-(pyridin-2-ylamino)pyrrol-1-ium-3-yl]propanoic acid Traditional Name: 2-benzyl-3-ethoxy-2-[1-methyl-4-phenyl-1-(2-pyridylamino)pyrrol-1-ium-3-yl]propionic acid Formula: C28H30N3O3+ MolecularWeight: 456.5561

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC(CC1=CC=CC=C1)(C2=C[N+](C=C2C3=CC=CC=C3)(C)NC4=CC=CC=N4)C(=O)O

Isomeric SMILES

CCOCC(CC1=CC=CC=C1)(C2=C[N+](C=C2C3=CC=CC=C3)(C)NC4=CC=CC=N4)C(=O)O

InChI

InChI=1S/C28H29N3O3/c1-3-34-21-28(27(32)33,18-22-12-6-4-7-13-22)25-20-31(2,30-26-16-10-11-17-29-26)19-24(25)23-14-8-5-9-15-23/h4-17,19-20H,3,18,21H2,1-2H3,(H-,29,30,32,33)/p+1