methyl-pentanoyl-(3-phenoxypropyl)-[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]azanium

Systemtic Name: methyl-pentanoyl-(3-phenoxypropyl)-[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]azanium Openeye Name: methyl-pentanoyl-(3-phenoxypropyl)-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ammonium CAS Name: methyl-(1-oxopentyl)-(3-phenoxypropyl)-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ammonium IUPAC Name: methyl-pentanoyl-(3-phenoxypropyl)-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]azanium Traditional Name: methyl-(3-phenoxypropyl)-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-valeryl-ammonium Formula: C28H32N5O2+ MolecularWeight: 470.58598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)[N+](C)(CCCOC1=CC=CC=C1)C2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4

Isomeric SMILES

CCCCC(=O)[N+](C)(CCCOC1=CC=CC=C1)C2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4

InChI

InChI=1S/C28H32N5O2/c1-3-4-15-27(34)33(2,20-10-21-35-24-11-6-5-7-12-24)23-18-16-22(17-19-23)25-13-8-9-14-26(25)28-29-31-32-30-28/h5-9,11-14,16-19H,3-4,10,15,20-21H2,1-2H3,(H,29,30,31,32)/q+1