[1-[(6-heptoxynaphthalen-2-yl)methyl]-2,5-bis(oxidanylidene)pyrrolidin-1-ium-1-yl] hydrogen carbonate

Systemtic Name: [1-[(6-heptoxynaphthalen-2-yl)methyl]-2,5-bis(oxidanylidene)pyrrolidin-1-ium-1-yl] hydrogen carbonate Openeye Name: [1-[(6-heptoxy-2-naphthyl)methyl]-2,5-dioxo-pyrrolidin-1-ium-1-yl] hydrogen carbonate CAS Name: carbonic acid [1-[(6-heptoxy-2-naphthalenyl)methyl]-2,5-dioxo-1-pyrrolidin-1-iumyl] ester IUPAC Name: [1-[(6-heptoxynaphthalen-2-yl)methyl]-2,5-dioxopyrrolidin-1-ium-1-yl] hydrogen carbonate Traditional Name: carbonic acid [1-[(6-heptoxy-2-naphthyl)methyl]-2,5-diketo-pyrrolidin-1-ium-1-yl] ester Formula: C23H28NO6+ MolecularWeight: 414.47152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC2=C(C=C1)C=C(C=C2)C[N+]3(C(=O)CCC3=O)OC(=O)O

Isomeric SMILES

CCCCCCCOC1=CC2=C(C=C1)C=C(C=C2)C[N+]3(C(=O)CCC3=O)OC(=O)O

InChI

InChI=1S/C23H27NO6/c1-2-3-4-5-6-13-29-20-10-9-18-14-17(7-8-19(18)15-20)16-24(30-23(27)28)21(25)11-12-22(24)26/h7-10,14-15H,2-6,11-13,16H2,1H3/p+1