(E)-2-[5-(carboxymethyloxy)-3,4-dihydronaphthalen-1-yl]ethoxy-cyclohexyl-(pyridin-3-ylmethylidene)azanium

Systemtic Name: (E)-2-[5-(carboxymethyloxy)-3,4-dihydronaphthalen-1-yl]ethoxy-cyclohexyl-(pyridin-3-ylmethylidene)azanium Openeye Name: (E)-2-[5-(carboxymethyloxy)-3,4-dihydronaphthalen-1-yl]ethoxy-cyclohexyl-(3-pyridylmethylene)ammonium CAS Name: (E)-2-[5-(carboxymethyloxy)-3,4-dihydronaphthalen-1-yl]ethoxy-cyclohexyl-(3-pyridinylmethylidene)ammonium IUPAC Name: (E)-2-[5-(carboxymethyloxy)-3,4-dihydronaphthalen-1-yl]ethoxy-cyclohexyl-(pyridin-3-ylmethylidene)azanium Traditional Name: (E)-2-[5-(carboxymethyloxy)-3,4-dihydronaphthalen-1-yl]ethoxy-cyclohexyl-(3-pyridylmethylene)ammonium Formula: C26H31N2O4+ MolecularWeight: 435.53534

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[N+](=CC2=CN=CC=C2)OCCC3=CCCC4=C3C=CC=C4OCC(=O)O

Isomeric SMILES

C1CCC(CC1)/[N+](=C\C2=CN=CC=C2)/OCCC3=CCCC4=C3C=CC=C4OCC(=O)O

InChI

InChI=1S/C26H30N2O4/c29-26(30)19-31-25-13-5-11-23-21(8-4-12-24(23)25)14-16-32-28(22-9-2-1-3-10-22)18-20-7-6-15-27-17-20/h5-8,11,13,15,17-18,22H,1-4,9-10,12,14,16,19H2/p+1