1-oxidanylidene-2-[(4-tetradecoxyphenyl)methyl]-2H-pyrrolo[3,4-b]pyridin-1-ium-3-one

Systemtic Name: 1-oxidanylidene-2-[(4-tetradecoxyphenyl)methyl]-2H-pyrrolo[3,4-b]pyridin-1-ium-3-one Openeye Name: 1-oxo-2-[(4-tetradecoxyphenyl)methyl]-2H-pyrrolo[3,4-b]pyridin-1-ium-3-one CAS Name: 1-oxo-2-[(4-tetradecoxyphenyl)methyl]-2H-pyrrolo[3,4-b]pyridin-1-ium-3-one IUPAC Name: 1-oxo-2-[(4-tetradecoxyphenyl)methyl]-2H-pyrrolo[3,4-b]pyridin-1-ium-3-one Traditional Name: 1-keto-2-(4-myristyloxybenzyl)-2H-pyrrolo[3,4-b]pyridin-1-ium-3-one Formula: C28H39N2O3+ MolecularWeight: 451.62086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=C(C=C1)CC2C(=O)C=C3C=NC=C3[N+]2=O

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=C(C=C1)CC2C(=O)C=C3C=NC=C3[N+]2=O

InChI

InChI=1S/C28H39N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-33-25-16-14-23(15-17-25)19-26-28(31)20-24-21-29-22-27(24)30(26)32/h14-17,20-22,26H,2-13,18-19H2,1H3/q+1