16-[(4-nitrophenyl)methyl]-1,4,7,10,13-pentaoxa-16-azoniacyclooctadecane

Systemtic Name: 16-[(4-nitrophenyl)methyl]-1,4,7,10,13-pentaoxa-16-azoniacyclooctadecane Openeye Name: 16-[(4-nitrophenyl)methyl]-1,4,7,10,13-pentaoxa-16-azoniacyclooctadecane CAS Name: 16-[(4-nitrophenyl)methyl]-1,4,7,10,13-pentaoxa-16-azoniacyclooctadecane IUPAC Name: 16-[(4-nitrophenyl)methyl]-1,4,7,10,13-pentaoxa-16-azoniacyclooctadecane Traditional Name: 16-(4-nitrobenzyl)-1,4,7,10,13-pentaoxa-16-azoniacyclooctadecane Formula: C19H31N2O7+ MolecularWeight: 399.45864

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCOCCOCCOCCOCC[NH+]1CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1COCCOCCOCCOCCOCC[NH+]1CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H30N2O7/c22-21(23)19-3-1-18(2-4-19)17-20-5-7-24-9-11-26-13-15-28-16-14-27-12-10-25-8-6-20/h1-4H,5-17H2/p+1