1-ethoxy-1-[1-methyl-4-phenyl-1-(pyridin-2-ylamino)pyrrol-1-ium-3-yl]-2-phenyl-ethanol

Systemtic Name: 1-ethoxy-1-[1-methyl-4-phenyl-1-(pyridin-2-ylamino)pyrrol-1-ium-3-yl]-2-phenyl-ethanol Openeye Name: 1-ethoxy-1-[1-methyl-4-phenyl-1-(2-pyridylamino)pyrrol-1-ium-3-yl]-2-phenyl-ethanol CAS Name: 1-ethoxy-1-[1-methyl-4-phenyl-1-(2-pyridinylamino)-3-pyrrol-1-iumyl]-2-phenylethanol IUPAC Name: 1-ethoxy-1-[1-methyl-4-phenyl-1-(pyridin-2-ylamino)pyrrol-1-ium-3-yl]-2-phenylethanol Traditional Name: 1-ethoxy-1-[1-methyl-4-phenyl-1-(2-pyridylamino)pyrrol-1-ium-3-yl]-2-phenyl-ethanol Formula: C26H28N3O2+ MolecularWeight: 414.51942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N3O2/c1-3-31-26(30,18-21-12-6-4-7-13-21)24-20-29(2,28-25-16-10-11-17-27-25)19-23(24)22-14-8-5-9-15-22/h4-17,19-20,30H,3,18H2,1-2H3,(H,27,28)/q+1