methyl 2,4-dimethyl-3-[1-(pyridin-3-ylmethyl)indol-1-ium-1-yl]benzoate

Systemtic Name: methyl 2,4-dimethyl-3-[1-(pyridin-3-ylmethyl)indol-1-ium-1-yl]benzoate Openeye Name: methyl 2,4-dimethyl-3-[1-(3-pyridylmethyl)indol-1-ium-1-yl]benzoate CAS Name: 2,4-dimethyl-3-[1-(3-pyridinylmethyl)-1-indol-1-iumyl]benzoic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-3-[1-(pyridin-3-ylmethyl)indol-1-ium-1-yl]benzoate Traditional Name: 2,4-dimethyl-3-[1-(3-pyridylmethyl)indol-1-ium-1-yl]benzoic acid methyl ester Formula: C24H23N2O2+ MolecularWeight: 371.45162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(=O)OC)C)[N+]2(C=CC3=CC=CC=C32)CC4=CN=CC=C4

Isomeric SMILES

CC1=C(C(=C(C=C1)C(=O)OC)C)[N+]2(C=CC3=CC=CC=C32)CC4=CN=CC=C4

InChI

InChI=1S/C24H23N2O2/c1-17-10-11-21(24(27)28-3)18(2)23(17)26(16-19-7-6-13-25-15-19)14-12-20-8-4-5-9-22(20)26/h4-15H,16H2,1-3H3/q+1