methyl 4-[[4-[1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-[1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[4-[1-[(4-methoxycarbonylphenyl)methyl]-4-pyridin-1-iumyl]-1-pyridin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[4-[1-(4-carbomethoxybenzyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoic acid methyl ester Formula: C28H26N2O4+2 MolecularWeight: 454.51704

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)C3=CC=[N+](C=C3)CC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)C3=CC=[N+](C=C3)CC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C28H26N2O4/c1-33-27(31)25-7-3-21(4-8-25)19-29-15-11-23(12-16-29)24-13-17-30(18-14-24)20-22-5-9-26(10-6-22)28(32)34-2/h3-18H,19-20H2,1-2H3/q+2