[3-[5-(4-carboxyphenyl)-2-cyano-phenoxy]-2-oxidanyl-propyl]-dimethyl-(4-pyridin-4-ylbutyl)azanium

Systemtic Name: [3-[5-(4-carboxyphenyl)-2-cyano-phenoxy]-2-oxidanyl-propyl]-dimethyl-(4-pyridin-4-ylbutyl)azanium Openeye Name: [3-[5-(4-carboxyphenyl)-2-cyano-phenoxy]-2-hydroxy-propyl]-dimethyl-[4-(4-pyridyl)butyl]ammonium CAS Name: [3-[5-(4-carboxyphenyl)-2-cyanophenoxy]-2-hydroxypropyl]-dimethyl-(4-pyridin-4-ylbutyl)ammonium IUPAC Name: [3-[5-(4-carboxyphenyl)-2-cyanophenoxy]-2-hydroxypropyl]-dimethyl-(4-pyridin-4-ylbutyl)azanium Traditional Name: [3-[5-(4-carboxyphenyl)-2-cyano-phenoxy]-2-hydroxy-propyl]-dimethyl-[4-(4-pyridyl)butyl]ammonium Formula: C28H32N3O4+ MolecularWeight: 474.57138

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCCC1=CC=NC=C1)CC(COC2=C(C=CC(=C2)C3=CC=C(C=C3)C(=O)O)C#N)O

Isomeric SMILES

C[N+](C)(CCCCC1=CC=NC=C1)CC(COC2=C(C=CC(=C2)C3=CC=C(C=C3)C(=O)O)C#N)O

InChI

InChI=1S/C28H31N3O4/c1-31(2,16-4-3-5-21-12-14-30-15-13-21)19-26(32)20-35-27-17-24(10-11-25(27)18-29)22-6-8-23(9-7-22)28(33)34/h6-15,17,26,32H,3-5,16,19-20H2,1-2H3/p+1