pyridin-1-ium-2-ylmethyl 2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoate

Systemtic Name: pyridin-1-ium-2-ylmethyl 2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoate Openeye Name: pyridin-1-ium-2-ylmethyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetate CAS Name: 2-[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]acetic acid 2-pyridin-1-iumylmethyl ester IUPAC Name: pyridin-1-ium-2-ylmethyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate Traditional Name: 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetic acid pyridin-1-ium-2-ylmethyl ester Formula: C25H22ClN2O4+ MolecularWeight: 449.90618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCC4=CC=CC=[NH+]4

Isomeric SMILES

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCC4=CC=CC=[NH+]4

InChI

InChI=1S/C25H21ClN2O4/c1-16-21(14-24(29)32-15-19-5-3-4-12-27-19)22-13-20(31-2)10-11-23(22)28(16)25(30)17-6-8-18(26)9-7-17/h3-13H,14-15H2,1-2H3/p+1