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

Systemtic Name: (E)-[5-(carboxymethyloxy)-3,4-dihydronaphthalen-1-yl]methoxy-cyclohexyl-(pyridin-3-ylmethylidene)azanium Openeye Name: (E)-[5-(carboxymethyloxy)-3,4-dihydronaphthalen-1-yl]methoxy-cyclohexyl-(3-pyridylmethylene)ammonium CAS Name: (E)-[5-(carboxymethyloxy)-3,4-dihydronaphthalen-1-yl]methoxy-cyclohexyl-(3-pyridinylmethylidene)ammonium IUPAC Name: (E)-[5-(carboxymethyloxy)-3,4-dihydronaphthalen-1-yl]methoxy-cyclohexyl-(pyridin-3-ylmethylidene)azanium Traditional Name: (E)-[5-(carboxymethyloxy)-3,4-dihydronaphthalen-1-yl]methoxy-cyclohexyl-(3-pyridylmethylene)ammonium Formula: C25H29N2O4+ MolecularWeight: 421.50876

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[N+](=CC2=CN=CC=C2)OCC3=CCCC4=C3C=CC=C4OCC(=O)O

Isomeric SMILES

C1CCC(CC1)/[N+](=C\C2=CN=CC=C2)/OCC3=CCCC4=C3C=CC=C4OCC(=O)O

InChI

InChI=1S/C25H28N2O4/c28-25(29)18-30-24-13-5-11-22-20(8-4-12-23(22)24)17-31-27(21-9-2-1-3-10-21)16-19-7-6-14-26-15-19/h5-8,11,13-16,21H,1-4,9-10,12,17-18H2/p+1